 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer05_B3LYPDBJ-augccpVDZr.in
 Output=12_L-valine_conformer05_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/Gau-15126.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     15127.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=12_L-valine_conformer05_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:47:54 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer05_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.066458000000     -1.742250000000      0.058829000000
  C                                                 1.144781000000     -0.237615000000      0.319196000000
  C                                                 0.017403000000      0.519585000000     -0.407509000000
  C                                                -1.339934000000     -0.122015000000     -0.159849000000
  O                                                -1.699602000000     -0.061835000000      1.148390000000
  C                                                 2.507306000000      0.318287000000     -0.090613000000
  N                                                 0.026381000000      1.937057000000     -0.047760000000
  O                                                -2.052705000000     -0.609463000000     -0.998100000000
  H                                                 0.182303000000      0.443607000000     -1.483828000000
  H                                                 1.004355000000     -0.066187000000      1.392046000000
  H                                                -2.578745000000     -0.464892000000      1.218746000000
  H                                                -0.631756000000      2.459844000000     -0.613015000000
  H                                                -0.239946000000      2.056537000000      0.923147000000
  H                                                 3.302392000000     -0.158123000000      0.485808000000
  H                                                 2.698710000000      0.120238000000     -1.148924000000
  H                                                 2.557607000000      1.394116000000      0.066259000000
  H                                                 1.885722000000     -2.256885000000      0.562881000000
  H                                                 0.132400000000     -2.176666000000      0.418486000000
  H                                                 1.144663000000     -1.956563000000     -1.009918000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Sun Sep 26 19:47:55 2021, MaxMem=  6442450944 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.529004   0.000000
     3  C    2.536510   1.540270   0.000000
     4  C    2.909245   2.533112   1.521627   0.000000
     5  O    3.414971   2.967992   2.388928   1.358113   0.000000
     6  C    2.518767   1.527562   2.518047   3.872972   4.402010
     7  N    3.824973   2.472787   1.462439   2.473693   2.899200
     8  O    3.482741   3.478140   2.430822   1.203459   2.243211
     9  H    2.817710   2.154373   1.091525   2.095246   3.274998
    10  H    2.142548   1.095497   2.134385   2.811972   2.714916
    11  H    4.032934   3.837381   3.217745   1.884872   0.969689
    12  H    4.581801   3.361753   2.056270   2.715303   3.256026
    13  H    4.109078   2.746882   2.049169   2.670008   2.582408
    14  H    2.773296   2.165494   3.471089   4.687149   5.046606
    15  H    2.755318   2.167517   2.810442   4.165045   4.965476
    16  H    3.472805   2.173155   2.727984   4.188150   4.627594
    17  H    1.090922   2.164677   3.484402   3.935081   4.244480
    18  H    1.091116   2.189679   2.822279   2.593035   2.891626
    19  H    1.092825   2.172861   2.786561   3.203343   4.042045
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.962641   0.000000
     8  O    4.741092   3.422062   0.000000
     9  H    2.713373   2.077738   2.517965   0.000000
    10  H    2.145917   2.653764   3.918362   3.034190   0.000000
    11  H    5.309963   3.762988   2.282986   3.968962   3.609377
    12  H    3.835737   1.012899   3.404120   2.342268   3.616346
    13  H    3.405380   1.013837   3.752978   2.928031   2.504817
    14  H    1.091508   3.925140   5.575191   3.738516   2.471982
    15  H    1.093563   3.413903   4.809486   2.559108   3.059758
    16  H    1.088369   2.591311   5.138304   2.991372   2.510535
    17  H    2.728540   4.628086   4.545533   3.792534   2.502695
    18  H    3.481975   4.141418   3.039330   3.238382   2.482387
    19  H    2.806574   4.163722   3.469579   2.628981   3.059843
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.962347   0.000000
    13  H    3.451806   1.635838   0.000000
    14  H    5.934566   4.851668   4.200493   0.000000
    15  H    5.813757   4.105235   4.083923   1.764728   0.000000
    16  H    5.582674   3.430631   2.999894   1.772053   1.766167
    17  H    4.855189   5.474300   4.822226   2.533317   3.040056
    18  H    3.304678   4.810941   4.279408   3.758710   3.783978
    19  H    4.588659   4.776803   4.664639   3.182354   2.597593
                   16         17         18         19
    16  H    0.000000
    17  H    3.745380   0.000000
    18  H    4.330840   1.761086   0.000000
    19  H    3.792310   1.764386   1.764500   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.72D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.8491417           1.5403062           1.2504232
 Leave Link  202 at Sun Sep 26 19:47:55 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.3201849877 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0283059532 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.2918790346 Hartrees.
 Leave Link  301 at Sun Sep 26 19:47:58 2021, MaxMem=  6442450944 cpu:              17.7 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.67D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Sun Sep 26 19:47:59 2021, MaxMem=  6442450944 cpu:               4.9 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:47:59 2021, MaxMem=  6442450944 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer05_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:48:00 2021, MaxMem=  6442450944 cpu:               4.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442266785 LenY=  6442176943
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.456036285024    
 DIIS: error= 2.18D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.456036285024     IErMin= 1 ErrMin= 2.18D-03
 ErrMax= 2.18D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.00D-03 BMatP= 5.00D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.18D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.244 Goal=   None    Shift=    0.000
 GapD=    0.244 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.93D-02 MaxDP=2.05D+00              OVMax= 2.25D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.82D-02    CP:  1.23D+00
 E= -402.460769875428     Delta-E=       -0.004733590404 Rises=F Damp=F
 DIIS: error= 4.57D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.460769875428     IErMin= 2 ErrMin= 4.57D-04
 ErrMax= 4.57D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.92D-05 BMatP= 5.00D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.57D-03
 Coeff-Com:  0.745D-02 0.993D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.742D-02 0.993D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=6.56D-04 MaxDP=6.21D-02 DE=-4.73D-03 OVMax= 3.73D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.95D-04    CP:  1.23D+00  1.03D+00
 E= -402.460668142810     Delta-E=        0.000101732618 Rises=F Damp=F
 DIIS: error= 7.41D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.460769875428     IErMin= 2 ErrMin= 4.57D-04
 ErrMax= 7.41D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-04 BMatP= 9.92D-05
 IDIUse=3 WtCom= 2.69D-01 WtEn= 7.31D-01
 Coeff-Com: -0.118D-01 0.625D+00 0.387D+00
 Coeff-En:   0.000D+00 0.676D+00 0.324D+00
 Coeff:     -0.316D-02 0.663D+00 0.341D+00
 Gap=     0.234 Goal=   None    Shift=    0.000
 RMSDP=8.42D-05 MaxDP=6.16D-03 DE= 1.02D-04 OVMax= 2.45D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.32D-05    CP:  1.23D+00  1.03D+00  8.75D-01
 E= -402.460848690221     Delta-E=       -0.000180547412 Rises=F Damp=F
 DIIS: error= 8.04D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.460848690221     IErMin= 4 ErrMin= 8.04D-05
 ErrMax= 8.04D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.99D-06 BMatP= 9.92D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.641D-02 0.290D+00 0.151D+00 0.565D+00
 Coeff:     -0.641D-02 0.290D+00 0.151D+00 0.565D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=2.90D-05 MaxDP=2.39D-03 DE=-1.81D-04 OVMax= 6.17D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.06D-05    CP:  1.23D+00  1.03D+00  8.92D-01  1.07D+00
 E= -402.460850937168     Delta-E=       -0.000002246946 Rises=F Damp=F
 DIIS: error= 5.48D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.460850937168     IErMin= 5 ErrMin= 5.48D-05
 ErrMax= 5.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-06 BMatP= 3.99D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.150D-02 0.342D-01 0.649D-02 0.375D+00 0.586D+00
 Coeff:     -0.150D-02 0.342D-01 0.649D-02 0.375D+00 0.586D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=1.25D-05 MaxDP=9.49D-04 DE=-2.25D-06 OVMax= 3.00D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.32D-06    CP:  1.23D+00  1.03D+00  9.08D-01  1.11D+00  8.93D-01
 E= -402.460851857434     Delta-E=       -0.000000920267 Rises=F Damp=F
 DIIS: error= 8.03D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.460851857434     IErMin= 6 ErrMin= 8.03D-06
 ErrMax= 8.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.39D-08 BMatP= 1.29D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.413D-03 0.542D-03-0.525D-02 0.164D+00 0.310D+00 0.531D+00
 Coeff:     -0.413D-03 0.542D-03-0.525D-02 0.164D+00 0.310D+00 0.531D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=2.52D-06 MaxDP=8.10D-05 DE=-9.20D-07 OVMax= 4.83D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.18D-06    CP:  1.23D+00  1.03D+00  9.10D-01  1.12D+00  8.61D-01
                    CP:  9.19D-01
 E= -402.460851913397     Delta-E=       -0.000000055963 Rises=F Damp=F
 DIIS: error= 1.35D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.460851913397     IErMin= 7 ErrMin= 1.35D-06
 ErrMax= 1.35D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-09 BMatP= 6.39D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.310D-04-0.317D-02-0.280D-02 0.352D-01 0.768D-01 0.218D+00
 Coeff-Com:  0.676D+00
 Coeff:     -0.310D-04-0.317D-02-0.280D-02 0.352D-01 0.768D-01 0.218D+00
 Coeff:      0.676D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=9.67D-07 MaxDP=9.99D-05 DE=-5.60D-08 OVMax= 1.17D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.96D-07    CP:  1.23D+00  1.03D+00  9.11D-01  1.12D+00  8.80D-01
                    CP:  9.27D-01  8.64D-01
 E= -402.460851915878     Delta-E=       -0.000000002481 Rises=F Damp=F
 DIIS: error= 2.97D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.460851915878     IErMin= 8 ErrMin= 2.97D-07
 ErrMax= 2.97D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.51D-11 BMatP= 2.60D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.136D-04-0.915D-03-0.543D-03 0.197D-02 0.502D-02 0.327D-01
 Coeff-Com:  0.204D+00 0.758D+00
 Coeff:      0.136D-04-0.915D-03-0.543D-03 0.197D-02 0.502D-02 0.327D-01
 Coeff:      0.204D+00 0.758D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=2.03D-07 MaxDP=1.06D-05 DE=-2.48D-09 OVMax= 2.72D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.42D-07    CP:  1.23D+00  1.03D+00  9.11D-01  1.12D+00  8.79D-01
                    CP:  9.37D-01  8.86D-01  8.60D-01
 E= -402.460851915945     Delta-E=       -0.000000000067 Rises=F Damp=F
 DIIS: error= 1.05D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.460851915945     IErMin= 9 ErrMin= 1.05D-07
 ErrMax= 1.05D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-11 BMatP= 9.51D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.759D-05-0.234D-03-0.857D-04-0.105D-02-0.204D-02 0.220D-02
 Coeff-Com:  0.547D-01 0.350D+00 0.597D+00
 Coeff:      0.759D-05-0.234D-03-0.857D-04-0.105D-02-0.204D-02 0.220D-02
 Coeff:      0.547D-01 0.350D+00 0.597D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=6.42D-08 MaxDP=7.84D-06 DE=-6.65D-11 OVMax= 7.99D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.71D-08    CP:  1.23D+00  1.03D+00  9.11D-01  1.12D+00  8.79D-01
                    CP:  9.37D-01  8.90D-01  9.06D-01  7.76D-01
 E= -402.460851915968     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 2.60D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.460851915968     IErMin=10 ErrMin= 2.60D-08
 ErrMax= 2.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.10D-13 BMatP= 1.36D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.162D-05-0.200D-04 0.119D-04-0.558D-03-0.109D-02-0.138D-02
 Coeff-Com:  0.612D-02 0.722D-01 0.196D+00 0.729D+00
 Coeff:      0.162D-05-0.200D-04 0.119D-04-0.558D-03-0.109D-02-0.138D-02
 Coeff:      0.612D-02 0.722D-01 0.196D+00 0.729D+00
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=9.12D-09 MaxDP=4.64D-07 DE=-2.25D-11 OVMax= 2.30D-07

 SCF Done:  E(RB3LYP) =  -402.460851916     A.U. after   10 cycles
            NFock= 10  Conv=0.91D-08     -V/T= 2.0061
 KE= 4.000124839956D+02 PE=-1.753933118340D+03 EE= 5.441679033940D+02
 Leave Link  502 at Sun Sep 26 19:50:06 2021, MaxMem=  6442450944 cpu:            1005.7 elap:             125.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.80670737D+02

 Leave Link  801 at Sun Sep 26 19:50:07 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 2.72D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 2.40D-01 7.45D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 3.38D-02 2.89D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.33D-03 8.79D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 9.34D-05 2.06D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 2.54D-06 2.73D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 4.55D-08 3.22D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 3.74D-10 4.58D-06.
      9 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 3.00D-12 2.87D-07.
      4 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 2.04D-14 1.96D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   101 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.906796D+02
      2  0.352472D+01  0.817859D+02
      3  0.422197D-01  0.121328D+01  0.749504D+02
 Isotropic polarizability for W=    0.088559       82.47 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.767475D+02 -0.219349D+02  0.698352D+01
      2  -0.294261D+02  0.214285D+02  0.262209D+01
      3  -0.473215D+02  0.506313D+00 -0.960561D+01
      4  -0.232773D+02  0.693609D+02 -0.773050D+01
      5   0.225632D+01 -0.873742D+01  0.245804D+02
      6  -0.259477D+01 -0.170672D+01 -0.129400D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.110596D+01 -0.552245D+01  0.251688D+01
      2   0.297131D+01 -0.289680D+01  0.205331D+02
      3   0.770190D+01 -0.392711D+02  0.355136D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.100692D+01 -0.432881D+01  0.134463D+02
      2   0.472720D+01 -0.513573D+01  0.719019D+02
      3  -0.134245D+01 -0.987870D+02  0.614266D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.755503D-01  0.687584D+00 -0.104171D+01
      2   0.687584D+00 -0.612317D-01  0.132388D+01
      3  -0.104171D+01  0.132388D+01 -0.465717D+00
 OR G Eigenvalues:    -2.2610     0.6834     1.1262  Iso=     0.1505
 Eigenvectors:
   (1)   0.469302  -0.558385   0.684077
   (2)   0.829411   0.544594  -0.124475
   (3)  -0.303039   0.625798   0.718710
 w=    0.088559 a.u., Optical Rotation Beta=      0.1505 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =       65.13 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.04D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.03D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.52D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.25D-02 2.57D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 4.69D-04 4.60D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 4.61D-06 2.61D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 4.43D-08 1.80D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.09D-10 1.87D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 4.44D-13 5.75D-08.
      1 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 8.78D-16 2.93D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   211 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.50D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.50D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.04D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.906796D+02  0.352472D+01  0.422197D-01
      2   0.352472D+01  0.817859D+02  0.121328D+01
      3   0.422197D-01  0.121328D+01  0.749504D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.110596D+01 -0.552245D+01  0.251688D+01
      2   0.297131D+01 -0.289680D+01  0.205331D+02
      3   0.770190D+01 -0.392711D+02  0.355136D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.767475D+02 -0.219349D+02  0.698352D+01
      2  -0.294261D+02  0.214285D+02  0.262209D+01
      3  -0.473215D+02  0.506313D+00 -0.960561D+01
      4  -0.232773D+02  0.693609D+02 -0.773050D+01
      5   0.225632D+01 -0.873742D+01  0.245804D+02
      6  -0.259477D+01 -0.170672D+01 -0.129400D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.104609D+01  0.531757D+01 -0.342753D+01  0.433995D+01 -0.609230D+00
      2   0.531757D+01 -0.107851D+01  0.464186D+00 -0.609230D+00 -0.341865D+01
      3  -0.342753D+01  0.464186D+00 -0.978980D+00  0.364464D+00 -0.125751D+01
                 6             7             8             9            10 
      1   0.364464D+00 -0.386968D+01  0.566223D+00 -0.125346D+01  0.197867D+00
      2  -0.125751D+01  0.566223D+00 -0.206404D+01  0.317112D+01 -0.470534D+01
      3   0.210422D+01 -0.125346D+01  0.317112D+01  0.547216D+01  0.211636D+01
                11            12            13            14            15 
      1  -0.470534D+01  0.211636D+01 -0.639844D+01  0.767815D+00 -0.844001D-01
      2   0.161990D+01  0.409241D-01  0.767815D+00  0.523337D+01  0.771349D+00
      3   0.409241D-01  0.141250D+01 -0.844001D-01  0.771349D+00 -0.177896D+01
                16            17            18            19            20 
      1   0.422559D+01 -0.168131D-01  0.207074D+01 -0.102476D+00  0.507893D+01
      2  -0.168131D-01  0.156677D+01 -0.216713D+01  0.507893D+01  0.197374D+00
      3   0.207074D+01 -0.216713D+01 -0.866429D+01 -0.282421D+01 -0.394878D+00
                21            22            23            24            25 
      1  -0.282421D+01  0.358246D+01 -0.163423D+01 -0.832916D+00 -0.336321D+01
      2  -0.394878D+00 -0.163423D+01 -0.514976D+01 -0.159747D+01 -0.177638D+00
      3  -0.732846D+00 -0.832916D+00 -0.159747D+01  0.168815D+01 -0.135231D+01
                26            27            28            29            30 
      1  -0.177638D+00 -0.135231D+01 -0.845962D+00  0.859432D-01  0.422565D+01
      2  -0.239018D+01  0.109100D+01  0.859432D-01  0.295066D+01  0.173531D+01
      3   0.109100D+01  0.700310D+01  0.422565D+01  0.173531D+01  0.222155D+01
                31            32            33            34            35 
      1   0.139359D+01  0.138834D+01  0.194850D+01  0.632090D+01  0.257924D+01
      2   0.138834D+01  0.662578D+00  0.165170D+01  0.257924D+01  0.297296D+01
      3   0.194850D+01  0.165170D+01  0.965026D+00  0.186888D+01  0.369250D+00
                36            37            38            39            40 
      1   0.186888D+01  0.659340D+01  0.215671D+01 -0.156007D+01  0.293064D+01
      2   0.369250D+00  0.215671D+01  0.567241D+00 -0.129332D+01  0.481478D+00
      3   0.138577D-01 -0.156007D+01 -0.129332D+01  0.139920D+01 -0.150065D+01
                41            42            43            44            45 
      1   0.481478D+00 -0.150065D+01 -0.266403D+00 -0.467494D+00 -0.510531D+00
      2   0.113492D+01  0.944612D+00 -0.467494D+00  0.218882D+01  0.339063D+00
      3   0.944612D+00  0.894390D+00 -0.510531D+00  0.339063D+00  0.484648D+01
                46            47            48            49            50 
      1   0.728492D-01  0.392997D+01 -0.276185D+01  0.500005D+01 -0.151009D+01
      2   0.392997D+01 -0.213183D+00  0.483372D+00 -0.151009D+01 -0.590095D+01
      3  -0.276185D+01  0.483372D+00 -0.225859D+01  0.654533D+00 -0.145783D+01
                51            52            53            54            55 
      1   0.654533D+00 -0.487330D+01  0.314380D+00 -0.351216D+01  0.280544D+01
      2  -0.145783D+01  0.314380D+00 -0.158276D+01  0.162562D+01 -0.340852D+01
      3   0.201155D+01 -0.351216D+01  0.162562D+01  0.571979D+01  0.139072D+01
                56            57            58            59            60 
      1  -0.340852D+01  0.139072D+01 -0.132701D+01  0.283806D+01 -0.350210D+00
      2   0.175629D+01 -0.789188D+00  0.283806D+01  0.443862D+01  0.134215D+01
      3  -0.789188D+00  0.247275D+01 -0.350210D+00  0.134215D+01 -0.129405D+01
                61            62            63            64            65 
      1   0.199657D+01 -0.101548D+01  0.312188D+01 -0.707205D+01 -0.288483D+01
      2  -0.101548D+01  0.147745D+01 -0.105826D+01 -0.288483D+01 -0.326181D+01
      3   0.312188D+01 -0.105826D+01 -0.359101D+01 -0.449184D+01 -0.115110D+01
                66            67            68            69            70 
      1  -0.449184D+01 -0.325530D+01 -0.234308D+01 -0.127995D+01 -0.629654D+01
      2  -0.115110D+01 -0.234308D+01 -0.316767D+01 -0.283266D+01 -0.229514D+01
      3  -0.329407D+01 -0.127995D+01 -0.283266D+01 -0.181596D+01 -0.394118D+01
                71            72            73            74            75 
      1  -0.229514D+01 -0.394118D+01  0.584727D+00 -0.542588D+00 -0.820982D+00
      2  -0.446070D+01 -0.203925D+01 -0.542588D+00  0.415305D+00  0.654313D-01
      3  -0.203925D+01 -0.684332D+01 -0.820982D+00  0.654313D-01  0.985673D+00
                76            77            78            79            80 
      1  -0.655442D+00  0.207590D+00  0.664281D-01 -0.136810D+01  0.215554D+00
      2   0.207590D+00  0.498348D+00 -0.952191D+00  0.215554D+00 -0.134973D+01
      3   0.664281D-01 -0.952191D+00 -0.401040D+00  0.443714D+00  0.857680D-02
                81            82            83            84            85 
      1   0.443714D+00 -0.624079D+00  0.877779D+00  0.883369D+00  0.994953D+00
      2   0.857680D-02  0.877779D+00 -0.399175D+00 -0.586772D-01 -0.200569D+00
      3  -0.744857D+01  0.883369D+00 -0.586772D-01 -0.522899D+00 -0.287267D-01
                86            87            88            89            90 
      1  -0.200569D+00 -0.287267D-01  0.148006D+01 -0.118762D+00 -0.406922D+00
      2  -0.246986D+00  0.109455D+01 -0.118762D+00  0.176055D+01  0.887989D+00
      3   0.109455D+01  0.103659D+01 -0.406922D+00  0.887989D+00  0.840904D+01
                91            92            93            94            95 
      1  -0.870486D+01 -0.218884D+01  0.360229D+01 -0.291491D+01 -0.172519D+01
      2  -0.218884D+01 -0.150193D+01  0.928210D+00 -0.172519D+01 -0.107713D+01
      3   0.360229D+01  0.928210D+00 -0.288029D+01  0.133852D+01  0.100783D+01
                96            97            98            99           100 
      1   0.133852D+01  0.119276D+01  0.280019D+00 -0.129458D+01 -0.236129D+01
      2   0.100783D+01  0.280019D+00  0.449745D+00 -0.393032D+00  0.300956D+01
      3  -0.121145D+01 -0.129458D+01 -0.393032D+00  0.183792D+01 -0.125950D+01
               101           102           103           104           105 
      1   0.300956D+01 -0.125950D+01  0.267356D+01 -0.263436D+01  0.107929D+01
      2  -0.371346D+01  0.134742D+01 -0.263436D+01  0.510842D+01 -0.141698D+01
      3   0.134742D+01 -0.128956D+01  0.107929D+01 -0.141698D+01  0.130736D+01
               106           107           108           109           110 
      1  -0.231020D+01  0.191088D+01 -0.153059D+01 -0.188279D+00  0.896234D+00
      2   0.191088D+01 -0.330980D+01  0.195253D+01  0.896234D+00 -0.530128D+00
      3  -0.153059D+01  0.195253D+01 -0.188711D+01  0.355051D+00 -0.579557D+00
               111           112           113           114           115 
      1   0.355051D+00  0.678846D+00 -0.196781D+00 -0.518500D+00  0.146412D+01
      2  -0.579557D+00 -0.196781D+00  0.150833D+01  0.822746D+00 -0.704561D+00
      3  -0.964802D+00 -0.518500D+00  0.822746D+00  0.966933D+00 -0.124782D+01
               116           117           118           119           120 
      1  -0.704561D+00 -0.124782D+01  0.746529D+01 -0.176415D+01  0.250689D+01
      2   0.278401D+01  0.215974D+01 -0.176415D+01  0.125993D+01 -0.580048D+00
      3   0.215974D+01  0.550615D+01  0.250689D+01 -0.580048D+00  0.188315D+01
               121           122           123           124           125 
      1  -0.382680D+01  0.177589D+01 -0.894561D+00  0.454218D+01 -0.721550D+00
      2   0.177589D+01 -0.807009D+00  0.906359D+00 -0.721550D+00  0.115364D+01
      3  -0.894561D+00  0.906359D+00 -0.111684D+01  0.256643D+01 -0.806413D+00
               126           127           128           129           130 
      1   0.256643D+01  0.145364D+01 -0.355353D+00 -0.101814D+01 -0.110940D+01
      2  -0.806413D+00 -0.355353D+00  0.237562D+00  0.312958D-01  0.593016D+00
      3   0.161835D+01 -0.101814D+01  0.312958D-01  0.117531D+01  0.285972D+00
               131           132           133           134           135 
      1   0.593016D+00  0.285972D+00 -0.273782D+01 -0.781680D-01  0.282141D+01
      2   0.116218D+00 -0.817302D+00 -0.781680D-01 -0.128901D+01 -0.376188D+00
      3  -0.817302D+00 -0.106856D+01  0.282141D+01 -0.376188D+00 -0.718300D+01
               136           137           138           139           140 
      1   0.281420D+00  0.111529D+01  0.385617D+00  0.271955D+01  0.198000D+01
      2   0.111529D+01  0.104135D+01  0.580377D-01  0.198000D+01  0.804583D+01
      3   0.385617D+00  0.580377D-01  0.342485D+00  0.501106D-01  0.685982D+00
               141           142           143           144           145 
      1   0.501106D-01  0.831121D+00  0.198077D+00  0.780870D+00  0.449518D+01
      2   0.685982D+00  0.198077D+00  0.961616D+00  0.844512D+00 -0.333072D+01
      3   0.983578D+00  0.780870D+00  0.844512D+00 -0.935807D-01  0.187304D+01
               146           147           148           149           150 
      1  -0.333072D+01  0.187304D+01 -0.232900D+01  0.241409D+01 -0.868383D+00
      2   0.365861D+01 -0.116446D+01  0.241409D+01 -0.339655D+01  0.136875D+01
      3  -0.116446D+01  0.156495D+01 -0.868383D+00  0.136875D+01 -0.116156D+01
               151           152           153           154           155 
      1   0.232800D+01 -0.139588D+01  0.157327D+01 -0.529469D+01 -0.238529D+01
      2  -0.139588D+01  0.243182D+01 -0.178662D+01 -0.238529D+01 -0.337268D+01
      3   0.157327D+01 -0.178662D+01  0.135432D+01  0.141474D+01  0.722369D+00
               156           157           158           159           160 
      1   0.141474D+01 -0.197034D+01 -0.179296D+01  0.519516D+00  0.182715D+01
      2   0.722369D+00 -0.179296D+01 -0.251590D+01  0.846657D+00  0.632967D+00
      3  -0.107970D+01  0.519516D+00  0.846657D+00 -0.908267D+00 -0.884071D+00
               161           162           163           164           165 
      1   0.632967D+00 -0.884071D+00  0.197777D+00 -0.902361D+00 -0.589616D+00
      2   0.154228D+01 -0.124646D+01 -0.902361D+00  0.366660D+00  0.134673D+00
      3  -0.124646D+01  0.583578D+00 -0.589616D+00  0.134673D+00  0.544160D+00
               166           167           168           169           170 
      1  -0.526951D+00  0.200220D+00  0.509616D-01 -0.112321D+01  0.294144D+00
      2   0.200220D+00 -0.106605D+01 -0.111073D+01  0.294144D+00 -0.284344D+01
      3   0.509616D-01 -0.111073D+01 -0.120110D+01  0.686416D+00 -0.257605D+01
               171 
      1   0.686416D+00
      2  -0.257605D+01
      3  -0.665388D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.722741D+01  0.818741D+00 -0.175897D+01  0.533875D+00 -0.562408D+01
      2  -0.400766D+01  0.122630D+01  0.562056D+00  0.616225D+00 -0.116660D+01
      3  -0.101577D+02 -0.149349D+02  0.722023D+01 -0.845867D+01  0.586244D+01
                 6             7             8             9            10 
      1   0.299428D+01 -0.281920D+01  0.103013D+02  0.114113D+02 -0.355789D+00
      2   0.255506D+01 -0.350309D+01  0.386097D+01  0.666270D+01  0.303778D+01
      3   0.850944D+00  0.792520D+01  0.520636D+00 -0.164797D+01  0.836401D+01
                11            12            13            14            15 
      1  -0.547661D-01  0.301525D+00 -0.140342D+01  0.260810D+01 -0.305340D+01
      2  -0.237115D+00  0.506034D+01 -0.133778D+01  0.737364D+00 -0.202327D+01
      3  -0.285805D+01 -0.810225D-01  0.286969D+01 -0.656254D+01 -0.138659D+01
                16            17            18            19            20 
      1   0.822702D+00  0.364556D+01 -0.257796D+01 -0.202950D+01 -0.209616D+01
      2  -0.131254D+01 -0.266163D+01 -0.117123D+02  0.480998D+01  0.226502D-01
      3   0.217141D+01 -0.266422D+01  0.273136D+01 -0.284610D+01 -0.243440D+01
                21            22            23            24            25 
      1   0.312872D+00 -0.171181D+01  0.351297D+01  0.104558D+01  0.130520D+01
      2  -0.908037D+00  0.280239D+01 -0.690307D-01 -0.811257D+00 -0.749707D+01
      3   0.168563D+00 -0.173839D+01 -0.593800D+01  0.246045D+01 -0.344580D+01
                26            27            28            29            30 
      1   0.538710D+01 -0.333214D+01 -0.191538D+01 -0.426002D+01  0.387014D+01
      2  -0.239584D+00 -0.556500D+00 -0.521349D+01 -0.939192D+00 -0.520323D+00
      3   0.213826D+01 -0.994810D+00 -0.884444D+01  0.545366D+01  0.633648D+00
                31            32            33            34            35 
      1   0.195508D+01 -0.162941D+01 -0.990266D+01  0.935559D+00 -0.642602D+01
      2   0.260153D+01 -0.242928D+01 -0.665582D+01  0.103969D+01 -0.228775D+01
      3   0.227116D+02  0.163787D+02 -0.945348D+00 -0.166818D+01 -0.333118D+01
                36            37            38            39            40 
      1   0.415510D+01  0.105203D+01 -0.876783D+00  0.528090D+00 -0.150137D+00
      2  -0.283695D+01 -0.172792D+01  0.879927D+00 -0.765981D+00 -0.452664D-01
      3   0.527040D+00  0.343276D+01 -0.783387D+00 -0.134008D+01 -0.300977D+00
                41            42            43            44            45 
      1   0.661886D+00 -0.824359D-01 -0.956600D-01  0.546241D+01  0.243544D+00
      2  -0.343566D+01 -0.105690D+01 -0.777563D+01 -0.194157D+01 -0.795696D+01
      3   0.655130D-01  0.321809D+01  0.496714D+00  0.393835D+01  0.885927D+00
                46            47            48            49            50 
      1   0.114014D+01  0.454973D+00  0.590103D+00  0.164557D+01  0.222514D+01
      2  -0.985664D+01  0.156800D+01 -0.571691D+01  0.297409D+01 -0.435604D+01
      3  -0.102443D+02  0.985939D+00 -0.233959D+01  0.104881D+02  0.190271D+02
                51            52            53            54            55 
      1  -0.240826D+01  0.151040D+01  0.122320D+01 -0.286248D+01 -0.135957D+01
      2   0.512540D+01 -0.145582D+02  0.412606D+01  0.160926D+02  0.106587D+01
      3   0.385983D+01 -0.416300D+01  0.486775D+01 -0.653123D+01  0.825833D+01
                56            57            58            59            60 
      1   0.415650D+01 -0.802934D+01  0.327397D+01 -0.448592D+01 -0.256461D+01
      2   0.224786D+01  0.472531D+01 -0.296961D+00  0.376194D+00  0.211066D+01
      3  -0.144993D+02  0.166534D+01  0.199408D+01  0.667065D+01 -0.354540D+01
                61            62            63            64            65 
      1  -0.800893D+01  0.840542D+01  0.871968D+01  0.266554D+01  0.735135D+01
      2  -0.144732D+01  0.466953D+00 -0.119701D+01  0.952820D-01  0.805300D-01
      3   0.450200D+01 -0.281369D+01  0.773945D+01  0.294190D+01 -0.730880D+01
                66            67            68            69            70 
      1  -0.306725D+01 -0.749065D-01  0.324838D+01 -0.112551D+01  0.116016D+01
      2   0.933349D+01 -0.346546D+01  0.443981D+01  0.545244D+01 -0.255188D+01
      3  -0.347505D+00 -0.394783D+01 -0.917786D+01 -0.259931D+01  0.486936D+00
                71            72            73            74            75 
      1   0.936624D+01 -0.197519D+01  0.911987D+00 -0.372001D+00 -0.463452D+00
      2   0.288491D+01  0.113094D+02  0.549802D+00 -0.679407D+00  0.111410D+01
      3  -0.181768D+01 -0.188830D+01  0.644084D+00 -0.684891D+00 -0.534559D+00
                76            77            78            79            80 
      1   0.392593D-01  0.221397D+00 -0.446441D+00 -0.651811D+00  0.350325D+01
      2  -0.885414D+00  0.321227D+00 -0.610474D-01 -0.390996D+01  0.332251D+00
      3   0.135072D+01 -0.834720D-01 -0.159459D+00 -0.347371D+00  0.142902D+00
                81            82            83            84            85 
      1   0.352834D+01  0.102598D+01 -0.647671D+00 -0.108953D+00 -0.163412D+00
      2   0.997294D+00  0.208670D+01 -0.617305D+00 -0.343781D+00 -0.114595D+01
      3  -0.184990D+00 -0.947991D+00 -0.810194D+00 -0.248248D+00  0.130183D+01
                86            87            88            89            90 
      1   0.585499D+00 -0.496160D+00 -0.677142D+00  0.419576D+01  0.229387D+01
      2   0.176330D+01  0.123868D+01 -0.497279D+01  0.155760D+01  0.105543D+02
      3   0.163716D+00 -0.112082D+01 -0.199774D+00 -0.171352D+01 -0.674805D+00
                91            92            93            94            95 
      1  -0.543942D+00 -0.165831D+01 -0.996632D+00 -0.105221D+01 -0.151366D+01
      2   0.114405D+01 -0.109103D+00  0.492092D+01  0.242203D+00 -0.458464D+00
      3  -0.130223D+01 -0.416559D+01  0.633971D+00 -0.175575D+01 -0.296744D+01
                96            97            98            99           100 
      1  -0.440653D+00  0.749029D+00  0.939437D+00 -0.313732D+00  0.273379D+01
      2   0.227961D+01 -0.533029D+00  0.133448D-01 -0.119305D+01 -0.169849D+01
      3   0.116870D+01  0.643279D+00  0.104733D+01 -0.500573D+00 -0.736862D+01
               101           102           103           104           105 
      1  -0.285452D+01  0.436864D+01 -0.286940D+01  0.220365D+01 -0.373412D+01
      2  -0.277415D+00  0.873347D+00  0.282295D+00  0.174792D+00 -0.920489D+00
      3   0.499963D+01 -0.316554D+01  0.857993D+01 -0.582821D+01  0.320480D+01
               106           107           108           109           110 
      1   0.372595D+01 -0.254730D+01  0.389533D+01 -0.137673D+01  0.863065D+00
      2  -0.130762D+01 -0.409623D+00  0.614349D+00  0.872998D+00  0.374113D-01
      3  -0.685431D+01  0.428516D+01 -0.428932D+01 -0.889244D+00  0.759846D+00
               111           112           113           114           115 
      1   0.354349D+01  0.106259D+01 -0.276941D+01 -0.281527D+01  0.362034D+01
      2  -0.236698D+00  0.145004D+00 -0.441489D-01 -0.858081D-01 -0.292945D+01
      3   0.769329D+00  0.175516D+01 -0.110791D+01 -0.136435D+01  0.410891D+01
               116           117           118           119           120 
      1  -0.361735D+01 -0.143889D+02 -0.575668D+00  0.701584D+00  0.107571D-01
      2   0.293508D+00  0.661016D+00  0.657248D+01 -0.207555D+01  0.814397D+01
      3  -0.166618D+01 -0.392565D+01  0.711247D+01 -0.685477D+01  0.302792D+01
               121           122           123           124           125 
      1  -0.144247D+00 -0.789796D+00 -0.575434D+00 -0.312321D+00  0.173333D+01
      2  -0.243901D+01  0.255619D+01 -0.440747D+01  0.582252D+01 -0.264583D+01
      3  -0.470521D+01  0.403350D+01 -0.271232D+01  0.354273D+01 -0.477759D+01
               126           127           128           129           130 
      1   0.503159D-02  0.613159D+00 -0.354007D+00 -0.779789D+00  0.683101D-01
      2   0.533734D+01 -0.262715D+01 -0.103393D-01  0.471019D+01  0.164317D+00
      3   0.333286D+01  0.150773D+01 -0.180621D+01 -0.669742D+00 -0.840184D+00
               131           132           133           134           135 
      1   0.699097D+00 -0.297396D+00 -0.982350D+00  0.347103D+01  0.311754D+01
      2  -0.206825D+01 -0.299435D+01  0.410414D+01 -0.139901D+01 -0.208694D+02
      3  -0.284137D-01  0.179537D+01 -0.582162D+00  0.441513D+01  0.273435D+01
               136           137           138           139           140 
      1  -0.200417D+00 -0.356891D+00 -0.598801D+00 -0.201629D+00 -0.933552D+00
      2   0.130384D+01 -0.956329D-01  0.123904D+01 -0.240363D+00  0.226610D+01
      3  -0.355672D+01 -0.183327D+01  0.506905D-01  0.108753D+01 -0.242310D+02
               141           142           143           144           145 
      1  -0.295636D+01 -0.738295D+00  0.397042D+00  0.117855D-01  0.360933D+01
      2   0.357253D+01  0.475140D+00  0.216521D+01 -0.460198D+00  0.113496D+01
      3  -0.208384D+01  0.404659D+00 -0.274820D+01 -0.137868D+01 -0.645597D+01
               146           147           148           149           150 
      1  -0.127733D+01  0.458196D+01 -0.175181D+01  0.214157D+01 -0.370952D+01
      2  -0.126618D+01  0.363102D+01 -0.439521D+00  0.144743D+01 -0.220354D+01
      3  -0.393803D+00 -0.262630D+01  0.466105D+01 -0.515348D+00  0.495885D+00
               151           152           153           154           155 
      1   0.308004D+01 -0.165822D+01  0.279849D+01  0.294791D+01  0.458501D+00
      2   0.341967D+00 -0.208950D+01  0.197020D+01  0.304026D+01  0.685871D+00
      3  -0.438652D+01 -0.837822D+00 -0.919869D+00  0.174991D+02  0.586569D+01
               156           157           158           159           160 
      1  -0.341040D+01  0.700113D+00  0.111311D+01 -0.277934D+01 -0.219847D+01
      2   0.460334D+00  0.758800D+00  0.105269D+01  0.766827D-01 -0.259694D+01
      3  -0.412611D+01  0.826600D+01  0.536434D+01 -0.207625D+01 -0.533763D+01
               161           162           163           164           165 
      1  -0.924380D+00  0.102355D+01 -0.111545D+01  0.373852D-02  0.110600D+01
      2  -0.101287D+01  0.230647D+00 -0.561418D+00  0.165206D+00  0.119379D+01
      3  -0.208785D+01  0.308926D+01  0.109040D+01  0.408974D+00  0.702293D+00
               166           167           168           169           170 
      1   0.222990D+00 -0.208150D+01 -0.412847D+01  0.133732D+01 -0.196385D+01
      2  -0.291129D+00 -0.110762D+01 -0.119109D+01 -0.222896D+01 -0.277583D+01
      3   0.202229D+01  0.636618D+00  0.960611D+00  0.270292D+01  0.310241D+01
               171 
      1  -0.151464D+02
      2  -0.766863D+01
      3   0.189595D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.111367D+02  0.133286D+02 -0.820607D+01  0.902192D+01 -0.120274D+02
      2  -0.183546D+02 -0.587960D+01  0.349549D+01 -0.287182D+01  0.164191D+02
      3   0.721794D+01 -0.744902D+01  0.471059D+01 -0.615011D+01 -0.439169D+01
      4   0.877986D+01 -0.208938D+02  0.137089D+02 -0.187397D+02 -0.277455D+01
      5  -0.772314D+01  0.653500D+01 -0.497363D+01  0.444297D+01 -0.377119D+01
      6   0.168392D+02 -0.177862D+01  0.424638D+01 -0.199641D+01  0.873140D+01
                 6             7             8             9            10 
      1  -0.942132D+00 -0.886820D+01 -0.269370D-01  0.508692D+01 -0.142190D+02
      2   0.578791D+01  0.219161D+01  0.690265D+01 -0.539640D+01  0.105931D+02
      3  -0.484578D+01  0.667659D+01 -0.687571D+01  0.309478D+00  0.362591D+01
      4  -0.432887D+01  0.129430D+02 -0.665380D+01  0.107053D+02 -0.140714D+02
      5   0.564934D+01 -0.658785D+01  0.839648D+01  0.130350D+02  0.615735D+01
      6  -0.929402D+01  0.543915D+01 -0.142505D+02 -0.202846D+02 -0.282583D+01
                11            12            13            14            15 
      1  -0.150402D+02  0.418150D+01 -0.186890D+02  0.116207D+02  0.203697D+01
      2   0.824692D+01 -0.461200D+01  0.112879D+02 -0.132918D+02 -0.188392D+00
      3   0.679328D+01  0.430494D+00  0.740107D+01  0.167117D+01 -0.184857D+01
      4   0.562390D+01 -0.131693D+01  0.654097D+01  0.928121D+01  0.181384D+01
      5  -0.299321D+00  0.301417D+01 -0.590294D+00  0.189568D+01 -0.495415D+01
      6   0.371693D+00 -0.139659D+01  0.950606D+00 -0.279651D+01 -0.542994D-01
                16            17            18            19            20 
      1   0.105590D+02  0.261689D+01  0.101260D+02 -0.173628D+02 -0.689887D+01
      2  -0.550105D+01 -0.243667D-01  0.519064D+01  0.171528D+02  0.104560D+02
      3  -0.505794D+01 -0.259252D+01 -0.153166D+02  0.210022D+00 -0.355712D+01
      4  -0.168545D+01  0.204628D+01 -0.494598D+01  0.411817D+00  0.271101D+01
      5   0.103903D+02 -0.422379D+01 -0.212566D+02  0.964791D+01  0.224208D+01
      6  -0.833206D+00  0.616103D+01  0.385104D+00  0.253010D+01 -0.773470D-01
                21            22            23            24            25 
      1   0.445205D+01  0.759736D+01  0.126952D+02  0.735905D+01 -0.395655D+01
      2  -0.412607D+01 -0.767422D+01 -0.235168D+02 -0.452428D+01 -0.112775D+01
      3  -0.325982D+00  0.768600D-01  0.108217D+02 -0.283477D+01  0.508430D+01
      4   0.354357D+01 -0.123277D+02 -0.112974D+01  0.288419D+01  0.174603D+01
      5  -0.211055D+01  0.638568D+01  0.587474D+01 -0.139621D+01  0.427984D+00
      6  -0.123286D+00  0.294889D+01 -0.719281D+00 -0.330990D+01  0.450990D-01
                26            27            28            29            30 
      1   0.517252D+01  0.606117D+01 -0.433532D+01 -0.114339D+01 -0.998810D+01
      2  -0.629838D+01  0.886873D+01  0.789493D+01  0.268296D+01  0.804512D+01
      3   0.112586D+01 -0.149299D+02 -0.355961D+01 -0.153956D+01  0.194298D+01
      4  -0.376036D+01  0.341150D+00 -0.357438D+01 -0.515877D+01 -0.800766D+01
      5   0.798274D+00  0.278526D+01 -0.226254D+02 -0.960684D+01 -0.176056D+02
      6   0.254523D+01  0.696976D+01 -0.621474D+01 -0.437440D+01 -0.529220D+01
                31            32            33            34            35 
      1  -0.454512D+01 -0.536408D+01 -0.508293D+01 -0.264979D+02 -0.113009D+02
      2   0.240201D+01  0.867381D+01  0.662050D+01  0.127449D+02  0.271835D+01
      3   0.214311D+01 -0.330973D+01 -0.153757D+01  0.137531D+02  0.858255D+01
      4   0.464452D+01 -0.887995D+01 -0.288486D+01 -0.157811D+02 -0.705490D+01
      5  -0.131167D+02 -0.684711D+01 -0.102120D+02 -0.170062D+02 -0.174772D+01
      6  -0.201972D+01 -0.575690D+01  0.818496D+00  0.201362D+00 -0.811781D+01
                36            37            38            39            40 
      1  -0.122863D+01 -0.218895D+02 -0.857196D+01  0.706795D+01 -0.131503D+02
      2   0.665902D+01  0.100110D+02  0.358120D+01 -0.274558D+01  0.812385D+01
      3  -0.543039D+01  0.118785D+02  0.499077D+01 -0.432237D+01  0.502644D+01
      4  -0.164743D+01 -0.135561D+02 -0.117386D+01  0.710516D+01 -0.109783D+01
      5  -0.523994D+01  0.146580D+02  0.948461D+01 -0.789544D+00  0.105775D+02
      6  -0.315322D+01  0.670839D+01  0.147659D+01 -0.263008D+01  0.217127D+01
                41            42            43            44            45 
      1  -0.603515D+01  0.600138D+01  0.534773D+01  0.122066D+01 -0.138620D+02
      2   0.485092D+01 -0.508199D+01  0.275881D+01  0.347552D+01 -0.106954D+02
      3   0.118422D+01 -0.919386D+00 -0.810654D+01 -0.469618D+01  0.245574D+02
      4  -0.347497D+01 -0.412097D+01  0.672662D+01 -0.263067D+01 -0.472044D+01
      5  -0.282072D+01 -0.461375D+01  0.827361D+01 -0.388747D+01 -0.200987D+02
      6   0.154161D+01  0.553732D+01 -0.345782D+01  0.791225D+01 -0.122573D+01
                46            47            48            49            50 
      1   0.792829D-01  0.236880D+02 -0.185284D+02  0.281341D+02 -0.486435D+01
      2   0.483809D+00 -0.144211D+02  0.890808D+01 -0.183914D+02 -0.329565D+01
      3  -0.563092D+00 -0.926694D+01  0.962036D+01 -0.974269D+01  0.816000D+01
      4   0.241620D+02 -0.236000D+01  0.256089D+01 -0.803096D+01 -0.272697D+02
      5  -0.212856D+02  0.331541D+01 -0.135783D+02  0.480517D+01 -0.966973D+01
      6  -0.882634D-01 -0.318949D+00  0.311257D+00 -0.172412D+01 -0.259009D+01
                51            52            53            54            55 
      1   0.630900D+01 -0.252085D+02  0.362887D+01 -0.134587D+02  0.196536D+02
      2  -0.335425D+01  0.102370D+02 -0.172081D+01  0.155791D+02 -0.189244D+02
      3  -0.295475D+01  0.149715D+02 -0.190806D+01 -0.212041D+01 -0.729193D+00
      4  -0.750551D+01  0.395241D+01 -0.608697D+01  0.862301D+01  0.872631D+01
      5   0.113654D+02 -0.227098D+02  0.942144D+01  0.304991D+02 -0.292099D+01
      6   0.115446D+01  0.331369D+00 -0.124956D+01  0.165615D+01  0.595225D+01
                56            57            58            59            60 
      1  -0.155959D+01 -0.219874D+00 -0.661317D+01 -0.192883D+02 -0.510160D+01
      2   0.417270D+01 -0.259090D+01  0.138729D+02  0.326696D+02  0.607152D+01
      3  -0.261311D+01  0.281077D+01 -0.725969D+01 -0.133813D+02 -0.969918D+00
      4  -0.798686D+01  0.428343D+01  0.124671D+01  0.141054D+02 -0.503778D+01
      5   0.290901D+01  0.928061D+00 -0.841988D+00 -0.428451D+01  0.300208D+01
      6  -0.507566D+01  0.123206D+02 -0.607736D+01  0.655908D+01  0.110523D+01
                61            62            63            64            65 
      1   0.256239D+01 -0.100738D+01  0.240115D+01  0.390120D+02  0.101227D+02
      2  -0.307719D+01  0.629134D+01 -0.195403D+01 -0.264478D+02 -0.630220D+01
      3   0.514805D+00 -0.528395D+01 -0.447117D+00 -0.125642D+02 -0.382050D+01
      4   0.543306D+01 -0.341130D+01  0.112512D+02  0.135178D+02  0.152373D+02
      5   0.163072D+01  0.416986D+01  0.668108D+00  0.299310D+02  0.738100D+01
      6   0.151301D+02 -0.206397D+01 -0.142006D+02  0.569079D+01  0.688068D+01
                66            67            68            69            70 
      1   0.135741D+02  0.506098D+01  0.782613D+00 -0.371723D+00  0.205603D+02
      2  -0.128080D+02 -0.609952D+00  0.516277D+01 -0.318445D+00 -0.190613D+02
      3  -0.766133D+00 -0.445103D+01 -0.594538D+01  0.690168D+00 -0.149898D+01
      4   0.706576D+01  0.166415D+02  0.176984D+02  0.113489D+02  0.995129D+01
      5   0.275246D+02  0.929766D+01  0.132465D+02  0.110182D+02  0.291056D+02
      6   0.510602D+01  0.496733D+01  0.925621D+01  0.114020D+02  0.563520D+01
                71            72            73            74            75 
      1   0.543895D+01  0.132911D+01  0.113542D+01 -0.667055D-01 -0.362123D+00
      2  -0.646485D+01 -0.152654D+02 -0.417050D+01  0.169413D-01  0.159558D+01
      3   0.102589D+01  0.139363D+02  0.303508D+01  0.497643D-01 -0.123346D+01
      4   0.114273D+02  0.756265D+01  0.636230D+00  0.160398D+01 -0.139316D+01
      5   0.999466D+01  0.348236D+02 -0.267062D+01 -0.482082D+00  0.672875D+01
      6   0.123907D+02  0.915927D+01 -0.132263D+01 -0.693817D+00  0.960174D+00
                76            77            78            79            80 
      1   0.227078D+00 -0.434534D+01 -0.801296D+00  0.463552D+00  0.141506D+01
      2   0.857636D-01  0.177378D+01 -0.133025D+01  0.214044D+01 -0.201227D+01
      3  -0.312841D+00  0.257157D+01  0.213154D+01 -0.260399D+01  0.597200D+00
      4   0.213494D+01 -0.450687D+00 -0.679368D+00 -0.608512D+00  0.225764D+00
      5  -0.155784D+00 -0.105582D+01 -0.696002D+00  0.415797D+01  0.315128D+00
      6  -0.618181D+00 -0.448738D-01  0.597199D+01  0.890864D-01  0.369890D+01
                81            82            83            84            85 
      1  -0.155146D+02  0.197018D+01  0.236759D+01  0.256154D+01  0.297180D+01
      2  -0.143785D+02 -0.439392D+01 -0.900019D+00  0.297288D+00 -0.177091D+01
      3   0.298931D+02  0.242373D+01 -0.146757D+01 -0.285883D+01 -0.120089D+01
      4   0.769158D+00  0.234095D+01  0.797548D+00  0.166817D+00  0.139391D+01
      5  -0.293016D+01  0.504910D+00  0.186250D+00  0.515828D+01 -0.429029D-01
      6  -0.752557D+01  0.973142D-01 -0.430607D+00 -0.407934D+00 -0.274463D+00
                86            87            88            89            90 
      1  -0.489512D+01 -0.163407D+01  0.460185D+01 -0.627342D+00 -0.168463D+02
      2   0.171351D+01 -0.101063D+01 -0.171024D+01 -0.257857D+01 -0.149730D+02
      3   0.318162D+01  0.264470D+01 -0.289162D+01  0.320591D+01  0.318193D+02
      4  -0.521419D+00  0.200280D+01  0.483015D+00  0.316894D+01  0.251718D+01
      5   0.225200D+01  0.219908D+01  0.250819D+01  0.186726D+01  0.180620D+02
      6   0.210712D+01  0.714544D+01  0.121728D+00  0.358052D+01  0.194922D+00
                91            92            93            94            95 
      1   0.411001D+02  0.927476D+01 -0.142596D+02  0.105409D+02  0.516449D+01
      2  -0.240204D+02 -0.483205D+01  0.105119D+02 -0.475881D+01 -0.112417D+01
      3  -0.170797D+02 -0.444271D+01  0.374772D+01 -0.578212D+01 -0.404032D+01
      4   0.124792D+02  0.831015D+01 -0.519944D+01  0.117536D+02  0.659089D+01
      5  -0.274512D+02 -0.708413D+01  0.174906D+02 -0.971658D+01 -0.634099D+01
      6  -0.608508D+01 -0.367644D+01  0.340925D+01 -0.473603D+01 -0.319984D+01
                96            97            98            99           100 
      1  -0.425341D+01 -0.182165D+01 -0.210674D-01  0.298699D+01 -0.261817D+01
      2   0.300100D+01  0.439801D+01  0.991997D+00 -0.505957D+01  0.906944D+01
      3   0.125241D+01 -0.257635D+01 -0.970930D+00  0.207258D+01 -0.645127D+01
      4  -0.521278D+01 -0.120088D+01 -0.124421D+01  0.188155D+01 -0.120537D+02
      5   0.667402D+01  0.928887D+01  0.247403D+01 -0.961146D+01  0.379108D+01
      6   0.380884D+01  0.167183D+01  0.173522D+01 -0.209027D+01 -0.726476D+01
               101           102           103           104           105 
      1   0.736637D+01 -0.224479D+01  0.463605D+01 -0.120725D+02  0.350748D+01
      2  -0.150564D+02  0.450543D+01 -0.106692D+02  0.221816D+02 -0.632583D+01
      3   0.769001D+01 -0.226064D+01  0.603310D+01 -0.101092D+02  0.281835D+01
      4   0.174586D+02 -0.659609D+01  0.149844D+02 -0.144706D+02  0.599287D+01
      5  -0.360584D+01  0.410160D+01 -0.173844D+01  0.336050D+01 -0.207570D+01
      6   0.923711D+01 -0.798511D+01  0.725235D+01 -0.943822D+01  0.815846D+01
               106           107           108           109           110 
      1  -0.399751D+01  0.708937D+01 -0.587095D+01 -0.213914D+01  0.153622D+01
      2   0.554844D+01 -0.995788D+01  0.493732D+01  0.275608D+01 -0.192010D+01
      3  -0.155094D+01  0.286851D+01  0.933632D+00 -0.616942D+00  0.383877D+00
      4  -0.958144D+01  0.921648D+01 -0.743782D+01 -0.113884D+01  0.504873D+01
      5   0.423705D+01 -0.373599D+01  0.380649D+01 -0.124257D+01  0.704309D+00
      6  -0.855690D+01  0.121284D+02 -0.991911D+01  0.107663D+01 -0.365635D+01
               111           112           113           114           115 
      1   0.214223D+01  0.378239D+00 -0.494068D+01 -0.226168D+01  0.149521D+01
      2  -0.177147D+01 -0.739436D+00  0.681124D+01  0.334305D+01 -0.148648D+01
      3  -0.370765D+00  0.361197D+00 -0.187056D+01 -0.108137D+01 -0.872939D-02
      4   0.166511D+01  0.419720D+01 -0.175463D+01 -0.280870D+01  0.550400D+01
      5   0.257526D+01  0.307806D+00 -0.152003D+01 -0.100746D+01  0.225291D+01
      6  -0.530095D+01 -0.322005D+01  0.377706D+01  0.713654D+01 -0.618782D+01
               116           117           118           119           120 
      1  -0.824366D+01 -0.993976D+01  0.545488D+02 -0.115241D+02  0.166392D+02
      2   0.891340D+01  0.222764D+01 -0.299144D+02  0.595187D+01 -0.987932D+01
      3  -0.669738D+00  0.771211D+01 -0.246344D+02  0.557222D+01 -0.675989D+01
      4  -0.418394D+01 -0.494314D+01 -0.114290D+02  0.104976D+02 -0.388284D+01
      5  -0.211437D+01 -0.381470D+01  0.196972D+02 -0.463889D+01  0.159372D+02
      6   0.113695D+02  0.248634D+02 -0.329479D+00  0.514903D+00  0.194855D+00
               121           122           123           124           125 
      1  -0.227512D+02  0.807786D+01 -0.530881D+01  0.260214D+02 -0.385989D+01
      2   0.123039D+02 -0.198386D+01  0.316621D+01 -0.159598D+02  0.249865D+01
      3   0.104473D+02 -0.609401D+01  0.214260D+01 -0.100617D+02  0.136125D+01
      4   0.133895D+02 -0.737000D+01  0.584799D+01 -0.517458D+01  0.751758D+01
      5  -0.754171D+01  0.599016D+01 -0.813267D+01  0.202495D+02 -0.570047D+01
      6   0.153443D+01 -0.150796D+01  0.187564D+01 -0.770516D+00  0.224130D+01
               126           127           128           129           130 
      1   0.122913D+02  0.908276D+01 -0.251220D+01 -0.571857D+01 -0.609569D+01
      2  -0.111394D+02 -0.753422D+01  0.174430D+01  0.478225D+01  0.406199D+01
      3  -0.115184D+01 -0.154855D+01  0.767900D+00  0.936322D+00  0.203370D+01
      4  -0.497122D+01 -0.203824D+01  0.258751D+01  0.572115D-01  0.447058D+01
      5   0.131285D+02 -0.703358D+01  0.535343D+00  0.124647D+02  0.227218D+01
      6  -0.129538D+01  0.131101D+00 -0.393111D-01  0.809512D+00 -0.161923D+01
               131           132           133           134           135 
      1   0.479664D+00 -0.760846D-01 -0.128097D+02 -0.857300D+00  0.361078D+01
      2  -0.368395D+00 -0.129362D+01  0.118373D+02 -0.240223D+00 -0.179920D+02
      3  -0.111269D+00  0.136970D+01  0.972391D+00  0.109752D+01  0.143813D+02
      4   0.370795D+00 -0.471734D+01 -0.743859D+00 -0.737344D+01 -0.284538D+01
      5  -0.423967D+01 -0.591522D+01  0.212462D+02 -0.269142D+01 -0.420374D+02
      6   0.141749D+01  0.408025D+01  0.271655D+00  0.439040D+01 -0.195929D+01
               136           137           138           139           140 
      1   0.208051D+01  0.343459D+01  0.239733D+01  0.122566D+02 -0.384080D+00
      2   0.197271D+01  0.117844D+01 -0.113714D+01 -0.344820D+01  0.151504D+02
      3  -0.405321D+01 -0.461303D+01 -0.126020D+01 -0.880841D+01 -0.147663D+02
      4   0.499446D+01  0.106132D+02  0.576910D+00  0.162877D+02  0.413283D+02
      5   0.231087D+01  0.159254D+00  0.271703D+01  0.264369D+00  0.491909D+01
      6   0.257494D+00 -0.153407D+00  0.707795D+00  0.916942D+00  0.212890D+01
               141           142           143           144           145 
      1  -0.898721D+00  0.441587D+01 -0.755153D+00  0.103820D+01  0.133148D+02
      2   0.155191D+01 -0.196919D+01  0.108893D+01 -0.103841D+01  0.129977D+01
      3  -0.653192D+00 -0.244668D+01 -0.333780D+00  0.212340D-03 -0.146146D+02
      4   0.391350D+01  0.131865D+01  0.446864D+01  0.393280D+01 -0.270523D+02
      5   0.638768D+01  0.558593D+01  0.454246D+01 -0.734513D+00  0.939600D+01
      6   0.447855D+01  0.127080D+01  0.552239D+01  0.158499D+01 -0.965998D+01
               146           147           148           149           150 
      1  -0.301848D+01  0.334710D+01 -0.196618D+01 -0.314174D+01  0.156275D+01
      2  -0.928756D+01  0.711024D-01 -0.724417D+01  0.151740D+02 -0.500599D+01
      3   0.123060D+02 -0.341820D+01  0.921035D+01 -0.120322D+02  0.344324D+01
      4   0.248284D+02 -0.105458D+02  0.190344D+02 -0.201739D+02  0.762231D+01
      5  -0.621994D+01  0.847101D+01 -0.402487D+01  0.587177D+01 -0.447189D+01
      6   0.752850D+01 -0.894092D+01  0.587791D+01 -0.900815D+01  0.823991D+01
               151           152           153           154           155 
      1   0.428961D+01  0.258807D+01 -0.929980D+00 -0.894111D+01 -0.142757D+02
      2  -0.480699D+00 -0.722506D+01  0.106666D+01  0.109301D+02  0.179864D+02
      3  -0.380891D+01  0.463699D+01 -0.136682D+00 -0.198896D+01 -0.371075D+01
      4  -0.125155D+02  0.116839D+02 -0.101279D+02  0.151554D+02  0.823734D+01
      5   0.884597D+01 -0.712619D+01  0.721241D+01 -0.979908D+00 -0.141534D+01
      6  -0.821956D+01  0.108845D+02 -0.776495D+01 -0.743168D+01 -0.514872D+01
               156           157           158           159           160 
      1   0.474988D+01 -0.884860D+01 -0.111135D+02  0.353765D+01  0.493717D+01
      2  -0.362822D+01  0.112594D+02  0.164337D+02 -0.452081D+01 -0.281005D+01
      3  -0.112165D+01 -0.241084D+01 -0.532026D+01  0.983164D+00 -0.212712D+01
      4  -0.498102D+01  0.989969D+01  0.547049D+01 -0.156218D+01 -0.577830D+01
      5   0.172551D+01 -0.469632D+00 -0.261978D+00 -0.196944D+00  0.284235D+01
      6   0.625944D+01 -0.362900D+01 -0.537515D+01  0.590003D+01  0.461184D+01
               161           162           163           164           165 
      1   0.577732D+01 -0.569048D+01 -0.702819D+00 -0.180807D+01 -0.152903D+01
      2  -0.687242D+01  0.347063D+01  0.114343D+01  0.231426D+00  0.105830D+01
      3   0.109509D+01  0.221984D+01 -0.440616D+00  0.157665D+01  0.470738D+00
      4  -0.491628D+00  0.155241D+01 -0.276533D+01  0.580396D+01  0.240243D+01
      5  -0.688248D+00 -0.192490D+01 -0.211892D+01  0.111340D+01  0.517137D+01
      6   0.772501D+01 -0.355405D+01  0.193919D+01 -0.585852D+00 -0.224821D+01
               166           167           168           169           170 
      1  -0.515616D+00 -0.487213D+01 -0.439068D+01 -0.212231D+01 -0.905693D+01
      2  -0.520101D+00  0.561401D+01  0.503011D+01  0.129919D+01  0.970513D+01
      3   0.103572D+01 -0.741888D+00 -0.639432D+00  0.823114D+00 -0.648202D+00
      4   0.425620D+01 -0.305058D+01 -0.252582D+01  0.501157D+01 -0.686361D+01
      5  -0.114509D+00 -0.259871D+01 -0.262377D+01  0.594046D+01 -0.653920D+01
      6  -0.662925D+00  0.613138D+01  0.107955D+02 -0.326870D+01  0.151823D+02
               171 
      1  -0.115572D+02
      2  -0.745399D-01
      3   0.116317D+02
      4  -0.749710D+01
      5  -0.163297D+02
      6   0.293724D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 20:16:02 2021, MaxMem=  6442450944 cpu:           12430.0 elap:            1554.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20568 -19.14953 -14.33085 -10.32261 -10.23140
 Alpha  occ. eigenvalues --  -10.19730 -10.17823 -10.17160  -1.12344  -1.03418
 Alpha  occ. eigenvalues --   -0.91137  -0.80639  -0.71438  -0.68989  -0.62746
 Alpha  occ. eigenvalues --   -0.58651  -0.50812  -0.50614  -0.49114  -0.48261
 Alpha  occ. eigenvalues --   -0.46223  -0.42620  -0.42419  -0.40117  -0.39429
 Alpha  occ. eigenvalues --   -0.38463  -0.35112  -0.34423  -0.34082  -0.33300
 Alpha  occ. eigenvalues --   -0.30645  -0.25334
 Alpha virt. eigenvalues --   -0.01999  -0.01123  -0.00027   0.00203   0.00849
 Alpha virt. eigenvalues --    0.02233   0.03248   0.03320   0.03827   0.04601
 Alpha virt. eigenvalues --    0.05814   0.06346   0.06786   0.07111   0.07657
 Alpha virt. eigenvalues --    0.08228   0.09104   0.09603   0.09678   0.10493
 Alpha virt. eigenvalues --    0.10599   0.11390   0.12215   0.12359   0.12687
 Alpha virt. eigenvalues --    0.13202   0.13785   0.14318   0.14879   0.15130
 Alpha virt. eigenvalues --    0.15217   0.15618   0.16383   0.17293   0.17969
 Alpha virt. eigenvalues --    0.18497   0.19840   0.20014   0.20830   0.21447
 Alpha virt. eigenvalues --    0.21946   0.22783   0.23072   0.23319   0.23702
 Alpha virt. eigenvalues --    0.24613   0.25095   0.25674   0.26946   0.26987
 Alpha virt. eigenvalues --    0.28396   0.28840   0.29996   0.30636   0.31875
 Alpha virt. eigenvalues --    0.32686   0.33217   0.33859   0.35292   0.35710
 Alpha virt. eigenvalues --    0.35896   0.36178   0.36769   0.37679   0.38192
 Alpha virt. eigenvalues --    0.38915   0.39296   0.39361   0.40320   0.40734
 Alpha virt. eigenvalues --    0.41552   0.43183   0.43730   0.43977   0.45570
 Alpha virt. eigenvalues --    0.45765   0.46454   0.46852   0.47384   0.48020
 Alpha virt. eigenvalues --    0.49845   0.50364   0.50821   0.51196   0.52073
 Alpha virt. eigenvalues --    0.52478   0.52711   0.54135   0.54390   0.55507
 Alpha virt. eigenvalues --    0.56906   0.57597   0.59687   0.60248   0.60594
 Alpha virt. eigenvalues --    0.61199   0.62330   0.63147   0.63825   0.65591
 Alpha virt. eigenvalues --    0.65716   0.67185   0.68114   0.68677   0.68885
 Alpha virt. eigenvalues --    0.69387   0.71621   0.72607   0.73984   0.74423
 Alpha virt. eigenvalues --    0.75033   0.75750   0.77095   0.77541   0.79659
 Alpha virt. eigenvalues --    0.80452   0.80565   0.82072   0.83489   0.83718
 Alpha virt. eigenvalues --    0.85092   0.85831   0.86767   0.87714   0.88796
 Alpha virt. eigenvalues --    0.92838   0.93620   0.95337   0.97249   0.97877
 Alpha virt. eigenvalues --    0.98315   0.99812   1.00704   1.02509   1.04027
 Alpha virt. eigenvalues --    1.05626   1.06659   1.08806   1.10787   1.12528
 Alpha virt. eigenvalues --    1.13988   1.14501   1.14688   1.17028   1.17616
 Alpha virt. eigenvalues --    1.21147   1.23004   1.24331   1.25290   1.27524
 Alpha virt. eigenvalues --    1.30457   1.32901   1.34972   1.36563   1.37834
 Alpha virt. eigenvalues --    1.42086   1.44095   1.47257   1.48027   1.51003
 Alpha virt. eigenvalues --    1.53448   1.55264   1.56226   1.58146   1.59923
 Alpha virt. eigenvalues --    1.61347   1.63557   1.65156   1.66772   1.68650
 Alpha virt. eigenvalues --    1.69548   1.69998   1.70912   1.74342   1.75565
 Alpha virt. eigenvalues --    1.77401   1.79172   1.81022   1.81278   1.82986
 Alpha virt. eigenvalues --    1.83472   1.86768   1.88948   1.89710   1.90723
 Alpha virt. eigenvalues --    1.91720   1.92913   1.94798   1.98340   1.98789
 Alpha virt. eigenvalues --    2.01124   2.02442   2.03954   2.05661   2.06984
 Alpha virt. eigenvalues --    2.08741   2.10421   2.12668   2.14250   2.14993
 Alpha virt. eigenvalues --    2.17517   2.17880   2.19824   2.22148   2.22750
 Alpha virt. eigenvalues --    2.25182   2.27315   2.28262   2.29373   2.31241
 Alpha virt. eigenvalues --    2.34799   2.37680   2.40876   2.43130   2.44221
 Alpha virt. eigenvalues --    2.47619   2.48441   2.51303   2.52797   2.55272
 Alpha virt. eigenvalues --    2.56525   2.59149   2.61235   2.62443   2.65532
 Alpha virt. eigenvalues --    2.70337   2.71157   2.71482   2.76421   2.77446
 Alpha virt. eigenvalues --    2.83835   2.89289   2.90740   2.97119   3.03094
 Alpha virt. eigenvalues --    3.09067   3.13853   3.20038   3.30258   3.36496
 Alpha virt. eigenvalues --    3.37399   3.39294   3.40718   3.43358   3.44801
 Alpha virt. eigenvalues --    3.50609   3.54766   3.65531   3.77833   3.86994
 Alpha virt. eigenvalues --    4.06558
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.978867  -0.330146  -0.428741  -0.034721   0.059099  -0.174615
     2  C   -0.330146  10.335416  -2.431997   0.286545   0.010163  -0.353715
     3  C   -0.428741  -2.431997  12.878098  -2.866528  -0.174952   0.250483
     4  C   -0.034721   0.286545  -2.866528   8.068596  -0.057862  -0.186674
     5  O    0.059099   0.010163  -0.174952  -0.057862   8.273200  -0.004792
     6  C   -0.174615  -0.353715   0.250483  -0.186674  -0.004792   4.885988
     7  N    0.094550  -0.035725  -0.850271   0.270439   0.035386  -0.040773
     8  O    0.018426  -0.022000   0.218066  -0.089087  -0.011736   0.004748
     9  H    0.117601   0.219938  -2.006924   0.181384   0.028093  -0.021145
    10  H    0.076897  -2.026847   0.561344  -0.056106   0.005158   0.004690
    11  H   -0.013953  -0.017407   0.177145  -0.203520   0.307204   0.002614
    12  H   -0.002635  -0.068085   0.324227  -0.110484  -0.002692   0.011712
    13  H    0.003611   0.130370  -0.346490  -0.012272   0.011063  -0.005838
    14  H    0.078924   0.134046  -0.037327  -0.020669  -0.002218   0.086016
    15  H   -0.072263  -0.267568   0.168709  -0.040836   0.002021   0.299920
    16  H   -0.077906   0.443357  -0.159178   0.046612   0.000139  -0.004378
    17  H   -0.060765   0.106907   0.082669  -0.045158   0.014984   0.071330
    18  H    0.224448   0.229992  -0.075258   0.017561   0.010019  -0.075451
    19  H    0.199115   0.043968  -0.300172   0.153982  -0.009435  -0.123356
               7          8          9         10         11         12
     1  C    0.094550   0.018426   0.117601   0.076897  -0.013953  -0.002635
     2  C   -0.035725  -0.022000   0.219938  -2.026847  -0.017407  -0.068085
     3  C   -0.850271   0.218066  -2.006924   0.561344   0.177145   0.324227
     4  C    0.270439  -0.089087   0.181384  -0.056106  -0.203520  -0.110484
     5  O    0.035386  -0.011736   0.028093   0.005158   0.307204  -0.002692
     6  C   -0.040773   0.004748  -0.021145   0.004690   0.002614   0.011712
     7  N    6.819256  -0.014574   0.285096   0.023349  -0.017004   0.105231
     8  O   -0.014574   8.469859   0.003297  -0.002809  -0.020509   0.001200
     9  H    0.285096   0.003297   2.772156   0.075611   0.002115  -0.108694
    10  H    0.023349  -0.002809   0.075611   3.150864   0.001221   0.014646
    11  H   -0.017004  -0.020509   0.002115   0.001221   0.654647   0.000125
    12  H    0.105231   0.001200  -0.108694   0.014646   0.000125   1.083803
    13  H    0.401725  -0.002819   0.073574  -0.030302  -0.007222  -0.146007
    14  H    0.042091   0.001118   0.010017  -0.142324  -0.000677   0.001667
    15  H   -0.004485   0.001590  -0.041338   0.120677   0.000040   0.000520
    16  H   -0.066478  -0.002483  -0.001625  -0.060811   0.001493   0.002654
    17  H   -0.013370  -0.004328   0.010516  -0.050423  -0.000371  -0.000008
    18  H    0.017935   0.037273   0.004201  -0.095525  -0.005709  -0.003035
    19  H    0.018460  -0.013111   0.031375   0.112911   0.001206   0.001503
              13         14         15         16         17         18
     1  C    0.003611   0.078924  -0.072263  -0.077906  -0.060765   0.224448
     2  C    0.130370   0.134046  -0.267568   0.443357   0.106907   0.229992
     3  C   -0.346490  -0.037327   0.168709  -0.159178   0.082669  -0.075258
     4  C   -0.012272  -0.020669  -0.040836   0.046612  -0.045158   0.017561
     5  O    0.011063  -0.002218   0.002021   0.000139   0.014984   0.010019
     6  C   -0.005838   0.086016   0.299920  -0.004378   0.071330  -0.075451
     7  N    0.401725   0.042091  -0.004485  -0.066478  -0.013370   0.017935
     8  O   -0.002819   0.001118   0.001590  -0.002483  -0.004328   0.037273
     9  H    0.073574   0.010017  -0.041338  -0.001625   0.010516   0.004201
    10  H   -0.030302  -0.142324   0.120677  -0.060811  -0.050423  -0.095525
    11  H   -0.007222  -0.000677   0.000040   0.001493  -0.000371  -0.005709
    12  H   -0.146007   0.001667   0.000520   0.002654  -0.000008  -0.003035
    13  H    0.975160   0.000332   0.000223  -0.009212  -0.001138   0.006610
    14  H    0.000332   2.061869  -0.408724  -0.496048  -0.017171   0.021601
    15  H    0.000223  -0.408724   1.894652  -0.406598  -0.023882   0.003826
    16  H   -0.009212  -0.496048  -0.406598   2.048676   0.024740  -0.021811
    17  H   -0.001138  -0.017171  -0.023882   0.024740   2.081416  -0.462089
    18  H    0.006610   0.021601   0.003826  -0.021811  -0.462089   1.783729
    19  H   -0.002556  -0.031464  -0.011692   0.009136  -0.398831  -0.344171
              19
     1  C    0.199115
     2  C    0.043968
     3  C   -0.300172
     4  C    0.153982
     5  O   -0.009435
     6  C   -0.123356
     7  N    0.018460
     8  O   -0.013111
     9  H    0.031375
    10  H    0.112911
    11  H    0.001206
    12  H    0.001503
    13  H   -0.002556
    14  H   -0.031464
    15  H   -0.011692
    16  H    0.009136
    17  H   -0.398831
    18  H   -0.344171
    19  H    1.894787
 Mulliken charges:
               1
     1  C    1.344206
     2  C   -0.387211
     3  C    1.017097
     4  C    0.698798
     5  O   -0.492844
     6  C    1.373237
     7  N   -0.070836
     8  O   -0.572122
     9  H   -0.635249
    10  H   -0.682222
    11  H    0.138563
    12  H   -0.105648
    13  H   -0.038812
    14  H   -0.281059
    15  H   -0.214790
    16  H   -0.270278
    17  H   -0.315028
    18  H   -0.274144
    19  H   -0.231656
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.523378
     2  C   -1.069433
     3  C    0.381848
     4  C    0.698798
     5  O   -0.354281
     6  C    0.607110
     7  N   -0.215296
     8  O   -0.572122
 Electronic spatial extent (au):  <R**2>=           1057.8544
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0353    Y=              0.4161    Z=              1.5736  Tot=              1.6280
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -50.7722   YY=            -50.4130   ZZ=            -51.0525
   XY=             -4.0900   XZ=             -4.9219   YZ=             -2.0400
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0263   YY=              0.3329   ZZ=             -0.3066
   XY=             -4.0900   XZ=             -4.9219   YZ=             -2.0400
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -22.4228  YYY=              3.8502  ZZZ=              2.9601  XYY=            -13.0214
  XXY=             -0.6537  XXZ=             18.3639  XZZ=             -1.7934  YZZ=              3.7386
  YYZ=              2.8923  XYZ=              6.5354
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -771.2489 YYYY=           -418.1421 ZZZZ=           -183.2323 XXXY=             -0.0990
 XXXZ=            -44.7178 YYYX=            -17.6954 YYYZ=             -0.3101 ZZZX=            -12.0076
 ZZZY=             -0.4362 XXYY=           -202.9140 XXZZ=           -160.7533 YYZZ=            -94.0830
 XXYZ=            -16.3672 YYXZ=              0.2511 ZZXY=             -1.0947
 N-N= 4.072918790346D+02 E-N=-1.753933117615D+03  KE= 4.000124839956D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 20:16:02 2021, MaxMem=  6442450944 cpu:               2.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.68311807D-02 1.77371470D-01 6.26201715D-01
 Polarizability= 8.22267878D+01 2.49082136D+00 7.41808333D+01
                 3.35194953D-01 1.07135497D+00 6.88385936D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0212   -0.0211        1.7625    1.7624
 2      0.0212    0.0211       -0.6065   -0.6066       -4.4471   -4.4469
 3     -1.7625   -1.7624        7.8648    7.8646        0.6067    0.6066
 4      0.6065    0.6066        0.0000    0.0000       -1.7624   -1.7624
 5     -3.4177   -3.4177        1.7624    1.7624       -0.0210   -0.0211
 6     -0.6067   -0.6066        0.0210    0.0211        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0633    0.0633        5.2871    5.2871
 2      1.8199    1.8199        0.0000    0.0000        5.2871    5.2871
 3      1.8199    1.8199        0.0633    0.0633       -0.0000    0.0000
 4      0.0633    0.0633       -1.8199   -1.8199      -13.3406  -13.3406
 5     -5.2871   -5.2871       23.5937   23.5937        1.8199    1.8199
 6    -10.2531  -10.2531        5.2871    5.2871       -0.0633   -0.0633
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0080    0.0000        0.1192    0.0844       -7.1004   -7.0494
 2     -0.1306   -0.0844        2.4260    2.4266       17.7810   17.7875
 3      7.0575    7.0494      -31.4499  -31.4583       -2.4535   -2.4266
 4     -2.4429   -2.4266        0.0553    0.0000        7.0046    7.0494
 5     13.6633   13.6708       -7.0564   -7.0494        0.0558    0.0844
 6      2.4391    2.4266       -0.0899   -0.0844        0.0257    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0504    0.0000       10.1632   10.2188        2.6491    2.5511
 2    -10.1652  -10.2188      -18.8008  -18.7381        3.6435    3.5817
 3     -2.5323   -2.5511        9.3166    9.3146       18.5600   18.7381
 4     18.7041   18.7381        0.0450    0.0000       -2.6072   -2.5511
 5    -12.8866  -12.8963        2.6245    2.5511       10.2311   10.2188
 6    -18.7476  -18.7381      -10.2235  -10.2188       -0.0362    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     17.8904   17.8954       10.3653   10.3373        3.8453    3.9630
 2     44.7873   44.7805       22.4655   22.4412        3.9380    3.9630
 3     44.7495   44.7805       10.3959   10.3373        4.2493    4.3614
 4    -12.1293  -12.1038      -26.9041  -26.8851        8.3301    8.2576
 5      0.3560    0.3984       14.3605   14.2992       26.7086   26.8851
 6    -22.6188  -22.5568       -0.3028   -0.3984       12.0703   12.1038
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.6218   -5.0904   -0.0006   -0.0004   -0.0002    0.8754
 Low frequencies ---   50.1305   72.6669  167.4949
 Diagonal vibrational polarizability:
       16.2729913      20.1562444      20.7277964
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     50.1283                72.6656               167.4948
 Red. masses --      8.0815                 2.8232                 3.9152
 Frc consts  --      0.0120                 0.0088                 0.0647
 IR Inten    --      1.0562                 0.1631                 0.0120
 RamAct Fr= 1--      1.2865                 0.1195                 0.5397
  Dep-P Fr= 1--      0.7220                 0.7484                 0.5443
  Dep-U Fr= 1--      0.8386                 0.8561                 0.7049
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0021
 Beta2  Fr= 1--      0.1798                 0.0170                 0.0634
 AlphaG Fr= 1--      0.0020                -0.0000                -0.0033
 Gamma2 Fr= 1--      0.0613                 0.0047                -0.1664
 Delta2 Fr= 1--      0.0173                 0.0233                -0.0303
 Raman1 Fr= 1--       5.146                  0.478                  2.159
 ROA1   Fr= 1--       6.440                  1.197                -16.949
 CID1   Fr= 1--       1.251                  2.506                 -7.852
 Raman2 Fr= 1--       2.158                  0.205                  0.761
 ROA2   Fr= 1--       1.334                 -0.074                 -3.752
 CID2   Fr= 1--       0.618                 -0.362                 -4.932
 Raman3 Fr= 1--       4.315                  0.409                  1.522
 ROA3   Fr= 1--       6.440                  1.197                -16.949
 CID3   Fr= 1--       1.492                  2.927                -11.138
 RC180  Fr= 1--       0.677                  0.712                  0.410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.14     0.07  -0.02  -0.21     0.26  -0.07   0.05
     2   6     0.01   0.02   0.06    -0.03  -0.05  -0.01     0.09  -0.06   0.01
     3   6     0.02  -0.09  -0.06    -0.01  -0.05  -0.04     0.01  -0.13   0.06
     4   6    -0.02  -0.00  -0.02    -0.02   0.00   0.03    -0.07  -0.00   0.02
     5   8     0.21  -0.33   0.06     0.02   0.11   0.04    -0.20   0.12  -0.03
     6   6     0.01   0.05   0.10    -0.01   0.06   0.22     0.00   0.09  -0.11
     7   7    -0.04  -0.04  -0.23     0.03  -0.03  -0.13     0.02  -0.13   0.07
     8   8    -0.25   0.40  -0.05    -0.06  -0.04   0.09    -0.09   0.12  -0.04
     9   1     0.04  -0.21  -0.05    -0.02  -0.12  -0.04    -0.01  -0.12   0.06
    10   1    -0.06   0.08   0.04    -0.15  -0.19  -0.00     0.15  -0.05   0.02
    11   1     0.13  -0.16   0.08     0.01   0.14   0.09    -0.28   0.29  -0.11
    12   1    -0.05  -0.14  -0.31     0.02  -0.06  -0.14     0.01  -0.13   0.08
    13   1    -0.05   0.07  -0.25     0.06   0.04  -0.13     0.02  -0.14   0.07
    14   1    -0.01   0.10   0.16    -0.05  -0.03   0.20     0.11   0.13  -0.23
    15   1     0.07   0.01   0.12     0.09   0.27   0.19    -0.11   0.15  -0.14
    16   1    -0.03   0.06   0.05    -0.05   0.03   0.42    -0.08   0.08  -0.07
    17   1     0.03   0.05   0.26     0.00  -0.06  -0.13     0.28   0.03   0.13
    18   1     0.05   0.01   0.08     0.02  -0.11  -0.43     0.28  -0.15  -0.01
    19   1     0.19  -0.06   0.17     0.26   0.12  -0.22     0.37  -0.10   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    213.0124               224.7072               260.2661
 Red. masses --      1.0752                 1.2478                 1.5027
 Frc consts  --      0.0287                 0.0371                 0.0600
 IR Inten    --      0.2332                 0.4621                19.4675
 RamAct Fr= 1--      0.1877                 0.1238                 0.3897
  Dep-P Fr= 1--      0.7417                 0.7273                 0.7197
  Dep-U Fr= 1--      0.8517                 0.8421                 0.8370
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0267                 0.0174                 0.0544
 AlphaG Fr= 1--      0.0001                -0.0004                 0.0015
 Gamma2 Fr= 1--     -0.0346                 0.0817                 0.0807
 Delta2 Fr= 1--      0.0126                 0.0383                -0.0863
 Raman1 Fr= 1--       0.751                  0.495                  1.559
 ROA1   Fr= 1--      -2.914                  9.066                  4.989
 CID1   Fr= 1--      -3.881                 18.315                  3.201
 Raman2 Fr= 1--       0.320                  0.208                  0.652
 ROA2   Fr= 1--      -0.931                  1.654                  2.628
 CID2   Fr= 1--      -2.911                  7.937                  4.029
 Raman3 Fr= 1--       0.640                  0.417                  1.305
 ROA3   Fr= 1--      -2.914                  9.066                  4.989
 CID3   Fr= 1--      -4.556                 21.748                  3.824
 RC180  Fr= 1--       0.703                  0.684                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04     0.02  -0.01   0.02    -0.00   0.02   0.01
     2   6    -0.01   0.01   0.00    -0.02   0.00  -0.04    -0.03   0.02  -0.01
     3   6    -0.00   0.01   0.01    -0.02   0.02  -0.05    -0.02   0.01  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.01  -0.03    -0.03   0.00   0.02
     5   8    -0.01  -0.03   0.00     0.06   0.03  -0.01    -0.07  -0.06   0.01
     6   6    -0.01  -0.00  -0.03    -0.01  -0.01  -0.01    -0.03   0.04   0.01
     7   7     0.02   0.02  -0.01    -0.01  -0.01   0.07     0.14   0.01  -0.06
     8   8     0.02  -0.01  -0.00    -0.03  -0.02   0.01     0.01  -0.02  -0.00
     9   1    -0.01  -0.00   0.01    -0.02   0.09  -0.06    -0.07  -0.04  -0.02
    10   1     0.01   0.02   0.01    -0.06   0.03  -0.06    -0.04   0.02  -0.01
    11   1     0.00  -0.05  -0.01     0.07   0.01   0.04    -0.04  -0.12  -0.04
    12   1     0.00   0.02   0.01    -0.06   0.04   0.17    -0.28  -0.02   0.39
    13   1     0.07   0.03  -0.00     0.05  -0.11   0.10     0.81   0.02   0.12
    14   1     0.04  -0.35  -0.38    -0.05   0.17   0.20    -0.04   0.10   0.08
    15   1    -0.25   0.41  -0.15     0.14  -0.25   0.07     0.03  -0.03   0.03
    16   1     0.17  -0.07   0.39    -0.09   0.03  -0.24    -0.06   0.05  -0.07
    17   1    -0.19  -0.01   0.30    -0.23   0.00   0.44     0.03   0.04  -0.01
    18   1    -0.14   0.07  -0.22    -0.16   0.04  -0.37     0.02  -0.00   0.05
    19   1     0.28  -0.04   0.07     0.51  -0.09   0.08    -0.03   0.00   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    267.1170               298.7253               350.5555
 Red. masses --      1.9693                 2.1632                 2.5541
 Frc consts  --      0.0828                 0.1137                 0.1849
 IR Inten    --      5.2500                13.3919                 5.9262
 RamAct Fr= 1--      0.4085                 0.2934                 1.1990
  Dep-P Fr= 1--      0.3690                 0.5720                 0.1238
  Dep-U Fr= 1--      0.5391                 0.7277                 0.2203
 Alpha2 Fr= 1--      0.0034                 0.0010                 0.0198
 Beta2  Fr= 1--      0.0367                 0.0356                 0.0440
 AlphaG Fr= 1--      0.0126                -0.0095                 0.0109
 Gamma2 Fr= 1--     -0.0211                 0.4623                -0.1456
 Delta2 Fr= 1--     -0.0707                 0.2509                 0.0956
 Raman1 Fr= 1--       1.634                  1.174                  4.796
 ROA1   Fr= 1--      -4.289                 52.409                -10.916
 CID1   Fr= 1--      -2.625                 44.657                 -2.276
 Raman2 Fr= 1--       0.440                  0.427                  0.528
 ROA2   Fr= 1--       0.059                  9.087                 -4.259
 CID2   Fr= 1--       0.134                 21.280                 -8.062
 Raman3 Fr= 1--       0.881                  0.854                  1.057
 ROA3   Fr= 1--      -4.289                 52.409                -10.916
 CID3   Fr= 1--      -4.869                 61.364                -10.332
 RC180  Fr= 1--       0.078                  0.455                 -0.559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.07     0.00  -0.06   0.03    -0.13  -0.05  -0.02
     2   6    -0.02  -0.00  -0.04    -0.07  -0.05  -0.00     0.00  -0.07   0.08
     3   6    -0.00  -0.02  -0.09    -0.02   0.01  -0.01     0.06  -0.08   0.06
     4   6     0.01  -0.01  -0.08    -0.02   0.03  -0.03     0.10  -0.01   0.02
     5   8     0.13   0.08  -0.05     0.05  -0.03  -0.01     0.07   0.05   0.01
     6   6    -0.02   0.04   0.05    -0.16   0.11  -0.02    -0.12   0.12  -0.04
     7   7    -0.03  -0.06   0.08     0.19  -0.00   0.05    -0.07  -0.07  -0.04
     8   8    -0.08  -0.02  -0.00    -0.01  -0.04  -0.00     0.13   0.07  -0.04
     9   1     0.03   0.07  -0.10     0.00   0.03  -0.01     0.12  -0.14   0.07
    10   1    -0.09   0.04  -0.06    -0.09  -0.04  -0.01     0.04  -0.11   0.09
    11   1     0.13   0.11   0.07     0.08  -0.11   0.04     0.02   0.17   0.02
    12   1    -0.25  -0.04   0.35     0.64   0.22  -0.26    -0.34  -0.24   0.11
    13   1     0.21  -0.25   0.17    -0.24   0.05  -0.08     0.15  -0.06   0.02
    14   1    -0.02  -0.14  -0.09    -0.06   0.24  -0.04     0.06   0.35  -0.11
    15   1    -0.05   0.31  -0.01    -0.16   0.15  -0.03    -0.21   0.10  -0.06
    16   1     0.03  -0.00   0.32    -0.34   0.12  -0.03    -0.36   0.14  -0.13
    17   1     0.17   0.07  -0.11     0.06   0.01   0.02    -0.26  -0.22   0.02
    18   1     0.12  -0.04   0.38     0.04  -0.10   0.10    -0.23   0.06  -0.16
    19   1    -0.29  -0.12   0.07    -0.04  -0.09   0.04    -0.06   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    386.5719               438.6640               532.8875
 Red. masses --      2.7224                 2.8335                 3.6805
 Frc consts  --      0.2397                 0.3212                 0.6158
 IR Inten    --      5.1256                 2.1896                 9.8305
 RamAct Fr= 1--      1.4077                 0.9542                 5.1024
  Dep-P Fr= 1--      0.5943                 0.3424                 0.1099
  Dep-U Fr= 1--      0.7455                 0.5101                 0.1980
 Alpha2 Fr= 1--      0.0041                 0.0086                 0.0872
 Beta2  Fr= 1--      0.1749                 0.0811                 0.1683
 AlphaG Fr= 1--     -0.0029                 0.0072                -0.0096
 Gamma2 Fr= 1--     -0.3403                -0.3386                 0.3411
 Delta2 Fr= 1--      0.1583                -0.0032                 0.1140
 Raman1 Fr= 1--       5.631                  3.817                 20.410
 ROA1   Fr= 1--     -27.602                -32.605                 36.395
 CID1   Fr= 1--      -4.902                 -8.542                  1.783
 Raman2 Fr= 1--       2.099                  0.974                  2.020
 ROA2   Fr= 1--      -9.433                 -8.100                  7.275
 CID2   Fr= 1--      -4.494                 -8.320                  3.601
 Raman3 Fr= 1--       4.198                  1.947                  4.040
 ROA3   Fr= 1--     -27.602                -32.605                 36.395
 CID3   Fr= 1--      -6.575                -16.746                  9.008
 RC180  Fr= 1--       0.491                  0.020                 -0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.07  -0.00     0.01   0.18  -0.04    -0.00  -0.18   0.00
     2   6    -0.13  -0.05   0.06    -0.01   0.08   0.23     0.12  -0.12   0.09
     3   6    -0.05   0.06   0.02     0.04  -0.05   0.06     0.06   0.10   0.12
     4   6     0.02   0.08  -0.00    -0.03  -0.06  -0.08    -0.04   0.03  -0.09
     5   8     0.07   0.02   0.01     0.07   0.02  -0.07     0.01  -0.01  -0.11
     6   6    -0.15  -0.14  -0.01    -0.05  -0.06  -0.03     0.07   0.05  -0.01
     7   7    -0.08   0.10  -0.04     0.07  -0.06   0.02    -0.03   0.22  -0.03
     8   8     0.09   0.03  -0.03    -0.13  -0.06  -0.01    -0.17  -0.08   0.05
     9   1     0.00   0.05   0.03     0.23  -0.11   0.10     0.22   0.13   0.14
    10   1    -0.14  -0.09   0.07     0.01   0.09   0.22     0.23  -0.23   0.12
    11   1     0.12  -0.09   0.07     0.04   0.11   0.04     0.12  -0.25  -0.06
    12   1    -0.25  -0.01   0.05     0.08  -0.01   0.04    -0.25  -0.01   0.01
    13   1     0.08   0.13   0.00     0.13  -0.03   0.03     0.12   0.35   0.00
    14   1    -0.14  -0.19  -0.08     0.03  -0.08  -0.17     0.24   0.24  -0.09
    15   1    -0.29  -0.21  -0.02    -0.33  -0.25  -0.05     0.01   0.11  -0.04
    16   1    -0.03  -0.14  -0.08     0.13  -0.04  -0.22    -0.15   0.06  -0.03
    17   1     0.37   0.18  -0.07     0.00   0.02  -0.19    -0.07  -0.29   0.01
    18   1     0.33  -0.39   0.02    -0.00   0.05  -0.24    -0.06  -0.07  -0.01
    19   1     0.21   0.01  -0.01     0.06   0.53  -0.11    -0.02  -0.18   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    594.8940               634.9587               773.5657
 Red. masses --      1.1944                 3.2124                 4.1443
 Frc consts  --      0.2490                 0.7631                 1.4611
 IR Inten    --     84.2038                47.7331                18.7576
 RamAct Fr= 1--      1.2488                 5.0004                 1.9893
  Dep-P Fr= 1--      0.6130                 0.0386                 0.3243
  Dep-U Fr= 1--      0.7601                 0.0744                 0.4898
 Alpha2 Fr= 1--      0.0031                 0.1015                 0.0189
 Beta2  Fr= 1--      0.1582                 0.0620                 0.1624
 AlphaG Fr= 1--     -0.0100                 0.0171                 0.0115
 Gamma2 Fr= 1--     -0.1806                -0.0207                 0.1112
 Delta2 Fr= 1--      0.0159                -0.0497                -0.4978
 Raman1 Fr= 1--       4.995                 20.002                  7.957
 ROA1   Fr= 1--     -16.833                 -3.576                 -5.254
 CID1   Fr= 1--      -3.370                 -0.179                 -0.660
 Raman2 Fr= 1--       1.898                  0.744                  1.949
 ROA2   Fr= 1--      -4.462                 -0.098                  6.652
 CID2   Fr= 1--      -2.350                 -0.132                  3.413
 Raman3 Fr= 1--       3.797                  1.487                  3.897
 ROA3   Fr= 1--     -16.833                 -3.576                 -5.254
 CID3   Fr= 1--      -4.434                 -2.405                 -1.348
 RC180  Fr= 1--       0.520                 -0.851                 -0.020
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.02  -0.00     0.01  -0.06   0.02
     2   6    -0.01  -0.00  -0.02    -0.03   0.00   0.01     0.04  -0.03   0.13
     3   6     0.01   0.03   0.00     0.16   0.02  -0.14    -0.05   0.00  -0.14
     4   6     0.03  -0.06   0.00     0.19   0.07   0.01    -0.18   0.38  -0.06
     5   8     0.02  -0.06  -0.01    -0.11  -0.05  -0.10     0.02  -0.10   0.07
     6   6    -0.02  -0.01   0.00    -0.08  -0.02   0.01     0.11   0.04  -0.00
     7   7     0.01   0.06   0.00    -0.01  -0.02   0.01    -0.02  -0.07  -0.01
     8   8    -0.01  -0.01   0.02    -0.02   0.04   0.23     0.07  -0.09   0.01
     9   1     0.00   0.06   0.00     0.20   0.02  -0.13     0.01  -0.12  -0.12
    10   1    -0.02  -0.02  -0.01    -0.16   0.05  -0.01    -0.05   0.09   0.10
    11   1    -0.42   0.87  -0.19    -0.05  -0.29  -0.67    -0.20   0.36  -0.05
    12   1     0.00   0.05   0.01    -0.13  -0.09   0.06    -0.09   0.00   0.13
    13   1     0.03   0.07   0.01    -0.19  -0.28  -0.00    -0.18  -0.41  -0.01
    14   1    -0.02  -0.00   0.01    -0.02  -0.00  -0.06     0.23   0.08  -0.13
    15   1    -0.01   0.00   0.00    -0.19  -0.04  -0.01    -0.08  -0.02  -0.03
    16   1    -0.03  -0.01   0.00    -0.09  -0.02  -0.03     0.11   0.05  -0.09
    17   1     0.02   0.03   0.02     0.03   0.05  -0.03    -0.02  -0.28  -0.15
    18   1     0.02  -0.03   0.02     0.02  -0.04  -0.01    -0.04  -0.05  -0.11
    19   1     0.02  -0.05   0.01     0.01   0.06  -0.01    -0.04   0.22  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    811.6935               847.8006               901.8288
 Red. masses --      2.6940                 1.8070                 2.3520
 Frc consts  --      1.0458                 0.7652                 1.1270
 IR Inten    --     76.6544                55.6570                49.2094
 RamAct Fr= 1--      4.3336                 7.7740                 1.4525
  Dep-P Fr= 1--      0.0297                 0.1074                 0.7289
  Dep-U Fr= 1--      0.0577                 0.1939                 0.8432
 Alpha2 Fr= 1--      0.0898                 0.1337                 0.0005
 Beta2  Fr= 1--      0.0417                 0.2513                 0.2041
 AlphaG Fr= 1--      0.0384                -0.0172                 0.0087
 Gamma2 Fr= 1--      0.3699                 0.6376                -0.2546
 Delta2 Fr= 1--     -0.0271                 0.8423                -0.9521
 Raman1 Fr= 1--      17.334                 31.096                  5.810
 ROA1   Fr= 1--      34.640                 88.161                -54.912
 CID1   Fr= 1--       1.998                  2.835                 -9.451
 Raman2 Fr= 1--       0.500                  3.016                  2.449
 ROA2   Fr= 1--       9.094                  8.564                  1.506
 CID2   Fr= 1--      18.179                  2.840                  0.615
 Raman3 Fr= 1--       1.001                  6.031                  4.899
 ROA3   Fr= 1--      34.640                 88.161                -54.912
 CID3   Fr= 1--      34.621                 14.618                -11.209
 RC180  Fr= 1--      -0.885                 -0.612                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.01    -0.01  -0.11   0.02    -0.05  -0.12   0.00
     2   6     0.01   0.00   0.04    -0.01   0.03   0.09    -0.12   0.08   0.03
     3   6     0.12   0.02  -0.16    -0.06   0.06  -0.11    -0.11  -0.07   0.06
     4   6    -0.02  -0.15  -0.00     0.06  -0.10   0.03     0.03  -0.04   0.05
     5   8    -0.07   0.02   0.16    -0.02   0.02   0.01     0.03   0.01  -0.10
     6   6    -0.01  -0.01   0.02     0.07   0.03   0.02     0.10   0.11  -0.04
     7   7     0.09   0.15   0.01    -0.08  -0.04   0.00     0.10   0.06   0.01
     8   8    -0.03   0.00  -0.09     0.01   0.04   0.00     0.02   0.03   0.03
     9   1     0.12   0.02  -0.16    -0.10   0.09  -0.12    -0.19  -0.16   0.06
    10   1    -0.16   0.08   0.00    -0.19   0.12   0.04    -0.09   0.16   0.02
    11   1    -0.02  -0.05   0.32     0.01  -0.06  -0.04     0.04  -0.01  -0.09
    12   1    -0.34  -0.16   0.18     0.40   0.50  -0.01    -0.27  -0.28   0.07
    13   1    -0.47  -0.42  -0.04     0.36   0.13   0.08    -0.35  -0.18  -0.06
    14   1     0.14   0.07  -0.12     0.22   0.07  -0.16    -0.09  -0.12   0.04
    15   1    -0.20  -0.03  -0.01    -0.17  -0.05  -0.02     0.16  -0.06  -0.00
    16   1    -0.06   0.01  -0.07     0.11   0.05  -0.12     0.45   0.10  -0.09
    17   1    -0.00  -0.10  -0.06     0.01  -0.21  -0.12     0.05  -0.03  -0.07
    18   1    -0.01  -0.05  -0.05    -0.01  -0.21  -0.11     0.02  -0.40  -0.13
    19   1    -0.01   0.09  -0.02    -0.00   0.12  -0.03     0.06   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    935.1830               951.9159               978.9412
 Red. masses --      1.4299                 1.6141                 1.5653
 Frc consts  --      0.7368                 0.8617                 0.8838
 IR Inten    --      6.8719                21.3275                15.1303
 RamAct Fr= 1--      2.2155                 4.1789                 2.2984
  Dep-P Fr= 1--      0.5436                 0.6286                 0.5919
  Dep-U Fr= 1--      0.7043                 0.7720                 0.7436
 Alpha2 Fr= 1--      0.0088                 0.0092                 0.0068
 Beta2  Fr= 1--      0.2601                 0.5377                 0.2849
 AlphaG Fr= 1--     -0.0300                -0.0187                -0.0202
 Gamma2 Fr= 1--      1.3328                 0.3532                -0.1354
 Delta2 Fr= 1--      1.0426                -0.1307                -0.1007
 Raman1 Fr= 1--       8.862                 16.715                  9.194
 ROA1   Fr= 1--     161.313                 29.723                -16.218
 CID1   Fr= 1--      18.203                  1.778                 -1.764
 Raman2 Fr= 1--       3.121                  6.452                  3.418
 ROA2   Fr= 1--      23.647                  9.522                 -2.443
 CID2   Fr= 1--       7.577                  1.476                 -0.715
 Raman3 Fr= 1--       6.242                 12.904                  6.836
 ROA3   Fr= 1--     161.313                 29.723                -16.218
 CID3   Fr= 1--      25.845                  2.303                 -2.372
 RC180  Fr= 1--       0.409                  0.544                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.08     0.10   0.01  -0.02    -0.04   0.10  -0.02
     2   6     0.05  -0.06   0.00     0.09  -0.00   0.00    -0.03  -0.09   0.01
     3   6    -0.08  -0.03  -0.03    -0.11  -0.05  -0.03    -0.07  -0.02  -0.01
     4   6     0.01  -0.02   0.03     0.01  -0.02   0.04    -0.00  -0.01   0.03
     5   8     0.01   0.00  -0.04     0.02   0.00  -0.06     0.01   0.00  -0.05
     6   6    -0.02  -0.08  -0.03    -0.06   0.01   0.06     0.11  -0.04   0.04
     7   7     0.01   0.05   0.00     0.02   0.06   0.00     0.02   0.02  -0.00
     8   8     0.01   0.02   0.01     0.02   0.02   0.02     0.01   0.01   0.01
     9   1    -0.22  -0.04  -0.05    -0.28  -0.07  -0.05    -0.20  -0.05  -0.02
    10   1     0.23   0.29  -0.03    -0.08  -0.14   0.00    -0.20  -0.28   0.02
    11   1     0.01  -0.00  -0.04     0.02  -0.00  -0.04     0.02   0.00  -0.01
    12   1    -0.03   0.07   0.06    -0.04   0.07   0.07    -0.05  -0.00   0.04
    13   1    -0.05  -0.04   0.00    -0.10  -0.07  -0.01    -0.09  -0.07  -0.01
    14   1    -0.01   0.12   0.12    -0.05  -0.12  -0.07     0.51   0.28  -0.24
    15   1     0.27   0.24  -0.03    -0.29  -0.22   0.06    -0.23   0.07  -0.04
    16   1    -0.41  -0.10   0.24     0.17   0.02  -0.13    -0.26  -0.00  -0.10
    17   1     0.03  -0.20  -0.19    -0.19  -0.41   0.02     0.06   0.42   0.13
    18   1    -0.03  -0.08  -0.19    -0.11   0.56   0.11     0.08  -0.04   0.11
    19   1     0.02   0.49  -0.02    -0.21  -0.16  -0.01     0.08  -0.11   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1070.9353              1102.7718              1131.3548
 Red. masses --      1.3331                 2.4471                 2.6772
 Frc consts  --      0.9008                 1.7533                 2.0190
 IR Inten    --     12.5682                30.3743                50.2422
 RamAct Fr= 1--      3.9718                 2.7716                 4.1079
  Dep-P Fr= 1--      0.2520                 0.3528                 0.7093
  Dep-U Fr= 1--      0.4026                 0.5216                 0.8300
 Alpha2 Fr= 1--      0.0468                 0.0241                 0.0029
 Beta2  Fr= 1--      0.2665                 0.2409                 0.5682
 AlphaG Fr= 1--     -0.0189                -0.0295                -0.0099
 Gamma2 Fr= 1--     -0.7646                -0.8545                 0.3801
 Delta2 Fr= 1--     -0.4524                -1.1426                 1.1710
 Raman1 Fr= 1--      15.887                 11.086                 16.431
 ROA1   Fr= 1--     -87.875               -118.595                 73.960
 CID1   Fr= 1--      -5.531                -10.697                  4.501
 Raman2 Fr= 1--       3.198                  2.891                  6.819
 ROA2   Fr= 1--     -14.730                -11.367                 -0.245
 CID2   Fr= 1--      -4.606                 -3.931                 -0.036
 Raman3 Fr= 1--       6.396                  5.783                 13.637
 ROA3   Fr= 1--     -87.875               -118.595                 73.960
 CID3   Fr= 1--     -13.738                -20.509                  5.423
 RC180  Fr= 1--      -0.195                  0.043                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.05    -0.03  -0.07  -0.07     0.06   0.06   0.02
     2   6     0.00  -0.01   0.07     0.10   0.13   0.06    -0.08  -0.13   0.08
     3   6    -0.03  -0.08  -0.05    -0.05   0.21   0.03    -0.15   0.17   0.01
     4   6     0.02  -0.00  -0.01    -0.02  -0.04   0.05     0.11  -0.05  -0.09
     5   8    -0.00   0.00   0.02     0.00  -0.01  -0.06    -0.01   0.03   0.11
     6   6    -0.01   0.02  -0.05    -0.06  -0.07   0.03     0.04   0.03  -0.08
     7   7    -0.03   0.08  -0.00     0.03  -0.11  -0.07     0.05  -0.08  -0.04
     8   8     0.00   0.00   0.00     0.00   0.01   0.01    -0.02   0.00  -0.02
     9   1     0.22  -0.44   0.02    -0.09  -0.02   0.04     0.10   0.29   0.04
    10   1     0.26  -0.21   0.13     0.47   0.06   0.12     0.04  -0.40   0.14
    11   1     0.00  -0.03  -0.08     0.01   0.04   0.21    -0.01  -0.07  -0.43
    12   1     0.14   0.49   0.18    -0.05   0.01   0.13    -0.12  -0.21   0.01
    13   1     0.03  -0.25   0.05    -0.18  -0.53  -0.07    -0.13  -0.14  -0.08
    14   1    -0.18  -0.07   0.12     0.03   0.09   0.04    -0.10  -0.02   0.09
    15   1     0.22   0.03  -0.01    -0.07   0.06   0.01     0.33   0.07  -0.03
    16   1     0.06  -0.01   0.09    -0.23  -0.06   0.08     0.13   0.00   0.09
    17   1     0.00   0.21   0.11     0.01   0.12   0.09    -0.08  -0.15   0.04
    18   1     0.04  -0.01   0.10     0.06  -0.14   0.08    -0.03   0.27   0.05
    19   1     0.04  -0.20   0.01     0.07  -0.33  -0.01    -0.10   0.06   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1177.2094              1195.9796              1249.1926
 Red. masses --      2.1025                 1.7403                 1.7444
 Frc consts  --      1.7167                 1.4666                 1.6038
 IR Inten    --    109.3359                 5.1116                 4.9430
 RamAct Fr= 1--      7.8875                 2.1072                 3.2373
  Dep-P Fr= 1--      0.7464                 0.6638                 0.2230
  Dep-U Fr= 1--      0.8548                 0.7979                 0.3647
 Alpha2 Fr= 1--      0.0005                 0.0032                 0.0413
 Beta2  Fr= 1--      1.1237                 0.2802                 0.1968
 AlphaG Fr= 1--      0.0064                -0.0024                 0.0444
 Gamma2 Fr= 1--      2.0736                 0.2135                 0.7105
 Delta2 Fr= 1--      0.6124                 0.1965                 0.1754
 Raman1 Fr= 1--      31.550                  8.429                 12.949
 ROA1   Fr= 1--     218.660                 26.780                 73.817
 CID1   Fr= 1--       6.931                  3.177                  5.701
 Raman2 Fr= 1--      13.484                  3.363                  2.362
 ROA2   Fr= 1--      44.867                  3.552                 15.648
 CID2   Fr= 1--       3.327                  1.056                  6.626
 Raman3 Fr= 1--      26.968                  6.726                  4.723
 ROA3   Fr= 1--     218.660                 26.780                 73.817
 CID3   Fr= 1--       8.108                  3.982                 15.629
 RC180  Fr= 1--       0.710                  0.596                 -0.271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.05    -0.10   0.03   0.06    -0.04   0.01  -0.08
     2   6    -0.07  -0.12   0.02     0.14  -0.11  -0.05     0.07  -0.01   0.16
     3   6     0.10   0.09  -0.03    -0.02   0.03  -0.01    -0.01  -0.05  -0.13
     4   6    -0.07  -0.03   0.10     0.01   0.00  -0.01    -0.02  -0.00   0.03
     5   8    -0.02  -0.03  -0.13     0.00   0.01   0.01    -0.01  -0.01  -0.02
     6   6     0.01   0.05  -0.06    -0.06   0.09   0.06    -0.03   0.01  -0.06
     7   7    -0.02  -0.02  -0.02     0.00  -0.01  -0.01     0.01  -0.00   0.05
     8   8     0.03   0.03   0.04    -0.01  -0.00  -0.01     0.01   0.01   0.01
     9   1     0.10   0.00  -0.03    -0.23   0.12  -0.06    -0.25   0.45  -0.20
    10   1    -0.14  -0.32   0.04     0.30  -0.24  -0.01     0.02   0.11   0.13
    11   1    -0.00   0.12   0.74     0.00  -0.02  -0.08    -0.01   0.02   0.11
    12   1     0.05   0.09   0.01    -0.00   0.02   0.02    -0.07  -0.32  -0.15
    13   1     0.02  -0.16   0.00    -0.02  -0.06  -0.01     0.05   0.43   0.00
    14   1    -0.15  -0.08   0.05    -0.17  -0.23  -0.06    -0.16  -0.02   0.12
    15   1     0.22  -0.02  -0.01    -0.21  -0.29   0.09     0.19   0.01  -0.01
    16   1     0.20   0.03   0.03     0.33   0.09  -0.13     0.04  -0.03   0.14
    17   1    -0.02  -0.09  -0.02     0.15   0.27  -0.09    -0.02   0.22   0.13
    18   1    -0.04   0.12  -0.03     0.03  -0.34  -0.08     0.08  -0.04   0.16
    19   1    -0.06   0.18   0.01     0.20   0.29   0.03     0.08  -0.25  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1311.3301              1339.4710              1356.4495
 Red. masses --      1.3467                 2.3217                 1.4342
 Frc consts  --      1.3644                 2.4543                 1.5547
 IR Inten    --      5.9385                28.3940                 0.2427
 RamAct Fr= 1--      1.1795                 4.0825                 4.8392
  Dep-P Fr= 1--      0.6664                 0.6850                 0.7461
  Dep-U Fr= 1--      0.7998                 0.8130                 0.8546
 Alpha2 Fr= 1--      0.0018                 0.0047                 0.0003
 Beta2  Fr= 1--      0.1572                 0.5532                 0.6893
 AlphaG Fr= 1--     -0.0059                -0.0070                 0.0067
 Gamma2 Fr= 1--     -0.6137                 0.3201                -0.8108
 Delta2 Fr= 1--     -0.3316                -0.3192                 0.0787
 Raman1 Fr= 1--       4.718                 16.330                 19.357
 ROA1   Fr= 1--     -69.528                 20.513                -75.320
 CID1   Fr= 1--     -14.737                  1.256                 -3.891
 Raman2 Fr= 1--       1.887                  6.638                  8.271
 ROA2   Fr= 1--     -12.077                 10.236                -20.090
 CID2   Fr= 1--      -6.401                  1.542                 -2.429
 Raman3 Fr= 1--       3.774                 13.277                 16.543
 ROA3   Fr= 1--     -69.528                 20.513                -75.320
 CID3   Fr= 1--     -18.425                  1.545                 -4.553
 RC180  Fr= 1--       0.600                  0.626                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01    -0.02  -0.00  -0.02     0.03   0.01  -0.06
     2   6    -0.02   0.00  -0.04     0.05  -0.02   0.01    -0.09  -0.14   0.02
     3   6    -0.12  -0.04  -0.07    -0.07  -0.04   0.07     0.04   0.03   0.01
     4   6     0.00  -0.01  -0.00     0.18   0.04  -0.23     0.00  -0.00   0.01
     5   8    -0.02  -0.01  -0.02    -0.08  -0.04   0.02     0.00   0.00   0.00
     6   6     0.01   0.00   0.05    -0.00   0.00  -0.01     0.01   0.04   0.04
     7   7     0.02   0.00   0.02     0.01   0.01  -0.02    -0.01   0.00  -0.01
     8   8     0.03   0.02   0.04     0.00   0.01   0.07    -0.01  -0.00  -0.01
     9   1     0.77   0.18   0.06    -0.16   0.02   0.05    -0.17  -0.07  -0.01
    10   1     0.43   0.03   0.01    -0.29   0.25  -0.08     0.45   0.76  -0.06
    11   1    -0.01   0.03   0.22    -0.05   0.12   0.80     0.00  -0.01  -0.03
    12   1    -0.05  -0.13  -0.04     0.00   0.12   0.08     0.02   0.05   0.01
    13   1    -0.00   0.19  -0.01    -0.02  -0.08  -0.01     0.01  -0.06   0.01
    14   1     0.11  -0.00  -0.09    -0.03  -0.02   0.01     0.08  -0.05  -0.12
    15   1    -0.12  -0.03   0.03    -0.00  -0.02  -0.00    -0.04  -0.09   0.05
    16   1     0.00   0.02  -0.10    -0.02  -0.01   0.03     0.12   0.05  -0.09
    17   1     0.00  -0.03  -0.03     0.02   0.07   0.01    -0.06   0.09   0.15
    18   1    -0.01  -0.02  -0.04     0.01   0.02   0.07     0.02   0.16   0.10
    19   1    -0.01  -0.00   0.01     0.08  -0.01  -0.01    -0.07  -0.07  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8691              1401.0068              1404.2635
 Red. masses --      1.3481                 1.2831                 1.2425
 Frc consts  --      1.5035                 1.4839                 1.4435
 IR Inten    --      4.7605                 6.6998                 2.2518
 RamAct Fr= 1--      6.3085                 3.4606                 1.7313
  Dep-P Fr= 1--      0.7416                 0.7184                 0.7266
  Dep-U Fr= 1--      0.8517                 0.8361                 0.8416
 Alpha2 Fr= 1--      0.0009                 0.0019                 0.0007
 Beta2  Fr= 1--      0.8954                 0.4823                 0.2429
 AlphaG Fr= 1--     -0.0035                -0.0100                 0.0047
 Gamma2 Fr= 1--      0.1224                 0.0761                -0.3438
 Delta2 Fr= 1--     -0.0969                 0.4193                -0.1327
 Raman1 Fr= 1--      25.234                 13.843                  6.925
 ROA1   Fr= 1--       8.648                 20.722                -37.253
 CID1   Fr= 1--       0.343                  1.497                 -5.379
 Raman2 Fr= 1--      10.745                  5.787                  2.914
 ROA2   Fr= 1--       3.712                 -1.528                 -7.189
 CID2   Fr= 1--       0.345                 -0.264                 -2.467
 Raman3 Fr= 1--      21.490                 11.574                  5.829
 ROA3   Fr= 1--       8.648                 20.722                -37.253
 CID3   Fr= 1--       0.402                  1.790                 -6.391
 RC180  Fr= 1--       0.703                  0.672                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.03     0.02   0.01   0.00    -0.00  -0.08  -0.01
     2   6    -0.10   0.07  -0.01    -0.05   0.02   0.00    -0.01   0.03  -0.00
     3   6     0.05  -0.01  -0.05     0.03  -0.09   0.04     0.01  -0.05   0.02
     4   6     0.05   0.02  -0.06    -0.01   0.01   0.00    -0.01   0.00   0.00
     5   8    -0.02  -0.01   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.02   0.02     0.08   0.02  -0.01    -0.08  -0.04   0.02
     7   7    -0.00   0.00   0.04    -0.01   0.01  -0.06    -0.00   0.01  -0.03
     8   8    -0.01  -0.00   0.01     0.01   0.00   0.00     0.00   0.00   0.00
     9   1    -0.46  -0.20  -0.12    -0.09   0.71  -0.02    -0.02   0.37  -0.01
    10   1     0.59  -0.42   0.15     0.18  -0.08   0.05     0.05  -0.09   0.02
    11   1    -0.01   0.03   0.18     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    12   1     0.01  -0.15  -0.11     0.04   0.26   0.12     0.02   0.14   0.06
    13   1     0.06   0.16   0.03    -0.03  -0.26  -0.02    -0.02  -0.13  -0.01
    14   1     0.07   0.06   0.01    -0.17  -0.17   0.15     0.26   0.28  -0.16
    15   1    -0.07   0.09  -0.01    -0.27  -0.09  -0.05     0.31   0.21   0.04
    16   1    -0.01   0.01  -0.09    -0.30   0.02   0.06     0.39  -0.03  -0.13
    17   1    -0.01  -0.08  -0.01    -0.04  -0.04   0.04     0.11   0.25   0.13
    18   1    -0.04   0.02  -0.09     0.01  -0.03  -0.04    -0.11   0.27   0.09
    19   1    -0.10   0.04   0.00    -0.09  -0.02  -0.00     0.00   0.33  -0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2318              1488.7476              1491.3000
 Red. masses --      1.2303                 1.0516                 1.0438
 Frc consts  --      1.4786                 1.3732                 1.3678
 IR Inten    --      8.3493                 1.5447                 3.2968
 RamAct Fr= 1--      0.4930                 1.5266                 7.2628
  Dep-P Fr= 1--      0.7411                 0.7499                 0.7497
  Dep-U Fr= 1--      0.8513                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0699                 0.2181                 1.0373
 AlphaG Fr= 1--     -0.0003                -0.0004                -0.0005
 Gamma2 Fr= 1--      0.0140                -0.0305                -0.3639
 Delta2 Fr= 1--      0.1461                -0.0570                 0.7785
 Raman1 Fr= 1--       1.972                  6.106                 29.051
 ROA1   Fr= 1--       6.020                 -4.756                -10.020
 CID1   Fr= 1--       3.053                 -0.779                 -0.345
 Raman2 Fr= 1--       0.839                  2.617                 12.448
 ROA2   Fr= 1--      -0.833                 -0.277                -14.961
 CID2   Fr= 1--      -0.993                 -0.106                 -1.202
 Raman3 Fr= 1--       1.679                  5.234                 24.896
 ROA3   Fr= 1--       6.020                 -4.756                -10.020
 CID3   Fr= 1--       3.586                 -0.909                 -0.402
 RC180  Fr= 1--       0.703                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.11  -0.02    -0.04   0.01  -0.01     0.01  -0.00   0.03
     2   6     0.01   0.01   0.00    -0.02  -0.02  -0.00     0.01  -0.02  -0.00
     3   6    -0.02   0.03  -0.02     0.01   0.00   0.00    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.06   0.02  -0.02     0.02  -0.03   0.00     0.00  -0.02  -0.04
     7   7     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   1     0.06  -0.19   0.00     0.01   0.02   0.00     0.02  -0.01   0.00
    10   1    -0.03  -0.02   0.00     0.04   0.03  -0.00     0.02   0.08  -0.02
    11   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    12   1    -0.02  -0.09  -0.04     0.01   0.01  -0.00    -0.00   0.00   0.00
    13   1     0.01   0.09   0.01    -0.00  -0.02   0.00    -0.00   0.01  -0.00
    14   1    -0.19  -0.18   0.15    -0.14   0.11   0.32    -0.01   0.43   0.37
    15   1    -0.25  -0.10  -0.05    -0.26   0.37  -0.12    -0.37  -0.03  -0.08
    16   1    -0.28   0.02   0.08     0.16   0.01  -0.23     0.33  -0.08   0.31
    17   1     0.14   0.37   0.21     0.00  -0.21  -0.27     0.19   0.20  -0.09
    18   1    -0.15   0.40   0.18     0.06   0.14   0.37    -0.17   0.09  -0.35
    19   1     0.03   0.49  -0.13     0.53   0.00   0.04    -0.20  -0.17   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.2665              1514.3282              1660.1181
 Red. masses --      1.0506                 1.0503                 1.0917
 Frc consts  --      1.4044                 1.4190                 1.7726
 IR Inten    --      4.3139                12.1844                35.1487
 RamAct Fr= 1--      6.8685                 0.3685                 2.6444
  Dep-P Fr= 1--      0.7492                 0.7390                 0.5785
  Dep-U Fr= 1--      0.8566                 0.8499                 0.7329
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0085
 Beta2  Fr= 1--      0.9806                 0.0522                 0.3230
 AlphaG Fr= 1--     -0.0004                -0.0004                -0.0110
 Gamma2 Fr= 1--     -0.6429                 0.4057                -0.2236
 Delta2 Fr= 1--     -0.2753                 0.1517                -0.0000
 Raman1 Fr= 1--      27.474                  1.474                 10.578
 ROA1   Fr= 1--     -70.531                 43.804                -21.464
 CID1   Fr= 1--      -2.567                 29.718                 -2.029
 Raman2 Fr= 1--      11.768                  0.626                  3.876
 ROA2   Fr= 1--     -13.228                  8.524                 -5.366
 CID2   Fr= 1--      -1.124                 13.608                 -1.384
 Raman3 Fr= 1--      23.535                  1.253                  7.753
 ROA3   Fr= 1--     -70.531                 43.804                -21.464
 CID3   Fr= 1--      -2.997                 34.967                 -2.769
 RC180  Fr= 1--       0.713                  0.700                  0.466
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.01   0.01  -0.02     0.00  -0.00   0.00
     2   6     0.03  -0.01  -0.01    -0.02   0.02  -0.03    -0.01   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.01  -0.01   0.00     0.03   0.01  -0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.02   0.01    -0.01   0.01  -0.03    -0.00   0.00   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.07  -0.02
     8   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.04  -0.04   0.01     0.01  -0.01   0.00    -0.03  -0.05  -0.01
    10   1    -0.05  -0.01  -0.03     0.07  -0.06  -0.01     0.02  -0.02  -0.00
    11   1    -0.00   0.00   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1    -0.00  -0.01  -0.00     0.00   0.00  -0.01    -0.19   0.34   0.57
    13   1    -0.00   0.01   0.00     0.01  -0.01   0.00    -0.39   0.57  -0.19
    14   1    -0.11   0.08   0.24     0.17   0.29  -0.04     0.00   0.00  -0.00
    15   1    -0.18   0.29  -0.09    -0.07  -0.43   0.05    -0.00  -0.00  -0.00
    16   1     0.16   0.01  -0.19     0.10  -0.08   0.54     0.00   0.00  -0.00
    17   1    -0.33  -0.04   0.49    -0.22  -0.22   0.10    -0.00  -0.01  -0.00
    18   1     0.22  -0.36   0.07     0.19  -0.10   0.37     0.00   0.00   0.01
    19   1    -0.36   0.25  -0.09     0.20   0.21  -0.04     0.00   0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1808.2396              3012.7248              3027.7790
 Red. masses --      9.5529                 1.0814                 1.0392
 Frc consts  --     18.4034                 5.7831                 5.6132
 IR Inten    --    300.1219                 5.3406                22.5394
 RamAct Fr= 1--     21.9023               169.6887                16.1106
  Dep-P Fr= 1--      0.1979                 0.1899                 0.1136
  Dep-U Fr= 1--      0.3305                 0.3192                 0.2040
 Alpha2 Fr= 1--      0.2991                 2.3666                 0.2728
 Beta2  Fr= 1--      1.2063                 9.0272                 0.5478
 AlphaG Fr= 1--     -0.3532                 0.0870                 0.0369
 Gamma2 Fr= 1--     -0.7788                -0.4293                 0.2925
 Delta2 Fr= 1--      1.1109                -1.4893                -0.4602
 Raman1 Fr= 1--      87.609                678.755                 64.442
 ROA1   Fr= 1--     -39.220                -88.872                 13.353
 CID1   Fr= 1--      -0.448                 -0.131                  0.207
 Raman2 Fr= 1--      14.476                108.327                  6.574
 ROA2   Fr= 1--     -27.579                  1.610                 10.701
 CID2   Fr= 1--      -1.905                  0.015                  1.628
 Raman3 Fr= 1--      28.952                216.654                 13.147
 ROA3   Fr= 1--     -39.220                -88.872                 13.353
 CID3   Fr= 1--      -1.355                 -0.410                  1.016
 RC180  Fr= 1--      -0.339                 -0.362                 -0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.02   0.01
     2   6    -0.01   0.01  -0.00     0.01  -0.01  -0.08     0.00  -0.00  -0.01
     3   6    -0.06  -0.03  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
     4   6     0.47   0.29   0.44     0.00   0.00  -0.00     0.00   0.00   0.00
     5   8    -0.04  -0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.02     0.04  -0.00  -0.03
     7   7    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   8    -0.27  -0.18  -0.30    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.21   0.14   0.05     0.02  -0.01  -0.14     0.01  -0.00  -0.04
    10   1     0.01  -0.02   0.00    -0.12   0.15   0.93    -0.01   0.02   0.10
    11   1    -0.02   0.07   0.47     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.00   0.02   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    13   1    -0.01  -0.03  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.01   0.01  -0.01     0.01   0.00   0.01    -0.32   0.20  -0.25
    15   1    -0.00  -0.00  -0.00     0.03  -0.04  -0.21    -0.10   0.12   0.63
    16   1    -0.01  -0.00   0.00     0.00   0.02   0.01    -0.00  -0.30  -0.05
    17   1    -0.01  -0.03  -0.02    -0.01   0.01  -0.00     0.19  -0.11   0.12
    18   1     0.01   0.01   0.04     0.02   0.00  -0.00    -0.21  -0.09   0.09
    19   1     0.04   0.01   0.01     0.01  -0.03  -0.14     0.03  -0.06  -0.36
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3033.0319              3070.8018              3084.7338
 Red. masses --      1.0380                 1.0857                 1.0993
 Frc consts  --      5.6262                 6.0321                 6.1630
 IR Inten    --     26.5189                10.7142                14.9337
 RamAct Fr= 1--    246.5023                63.9153                37.3098
  Dep-P Fr= 1--      0.0071                 0.0709                 0.6105
  Dep-U Fr= 1--      0.0141                 0.1323                 0.7582
 Alpha2 Fr= 1--      5.3874                 1.2010                 0.0957
 Beta2  Fr= 1--      0.5812                 1.4098                 4.7146
 AlphaG Fr= 1--     -0.2910                 0.3735                 0.0797
 Gamma2 Fr= 1--     -0.2524                 4.7953                18.7779
 Delta2 Fr= 1--     -0.3124                 4.0766                11.5640
 Raman1 Fr= 1--     986.009                255.661                149.239
 ROA1   Fr= 1--     -34.231                590.805               2172.731
 CID1   Fr= 1--      -0.035                  2.311                 14.559
 Raman2 Fr= 1--       6.975                 16.918                 56.575
 ROA2   Fr= 1--      -3.559                 82.475                358.159
 CID2   Fr= 1--      -0.510                  4.875                  6.331
 Raman3 Fr= 1--      13.950                 33.836                113.150
 ROA3   Fr= 1--     -34.231                590.805               2172.731
 CID3   Fr= 1--      -2.454                 17.461                 19.202
 RC180  Fr= 1--      -0.972                 -0.735                  0.516
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.02    -0.00  -0.00   0.01     0.00  -0.01   0.04
     2   6     0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     3   6    -0.00   0.00   0.01     0.01  -0.00  -0.08     0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.02  -0.00  -0.01     0.01  -0.00   0.01    -0.04   0.01  -0.07
     7   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1     0.02  -0.01  -0.08    -0.15   0.06   0.95    -0.01   0.01   0.09
    10   1    -0.02   0.02   0.14    -0.01   0.02   0.12    -0.01   0.01   0.08
    11   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.19   0.12  -0.15    -0.10   0.06  -0.07     0.52  -0.32   0.37
    15   1    -0.06   0.07   0.35     0.01  -0.01  -0.05    -0.10   0.11   0.52
    16   1    -0.01  -0.18  -0.03    -0.00  -0.05  -0.00    -0.00   0.14   0.00
    17   1    -0.33   0.20  -0.21    -0.05   0.03  -0.03    -0.19   0.11  -0.11
    18   1     0.39   0.17  -0.16     0.08   0.03  -0.03     0.14   0.06  -0.05
    19   1    -0.04   0.10   0.56     0.00  -0.01  -0.04     0.02  -0.05  -0.28
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3093.8185              3100.0374              3124.8359
 Red. masses --      1.0996                 1.1016                 1.0987
 Frc consts  --      6.2011                 6.2375                 6.3207
 IR Inten    --     49.4785                33.7244                13.5284
 RamAct Fr= 1--     90.1085                74.8000                58.9273
  Dep-P Fr= 1--      0.5469                 0.7074                 0.6115
  Dep-U Fr= 1--      0.7071                 0.8287                 0.7589
 Alpha2 Fr= 1--      0.3505                 0.0552                 0.1501
 Beta2  Fr= 1--     10.6192                10.3306                 7.4534
 AlphaG Fr= 1--      0.2639                -0.0733                -0.0495
 Gamma2 Fr= 1--    -22.7219                 5.7417                -3.0703
 Delta2 Fr= 1--    -15.3676                 4.9079                -1.0294
 Raman1 Fr= 1--     360.434                299.200                235.709
 ROA1   Fr= 1--   -2673.067                708.256               -327.685
 CID1   Fr= 1--      -7.416                  2.367                 -1.390
 Raman2 Fr= 1--     127.431                123.967                 89.441
 ROA2   Fr= 1--    -422.385                 98.538                -65.451
 CID2   Fr= 1--      -3.315                  0.795                 -0.732
 Raman3 Fr= 1--     254.862                247.933                178.883
 ROA3   Fr= 1--   -2673.067                708.256               -327.685
 CID3   Fr= 1--     -10.488                  2.857                 -1.832
 RC180  Fr= 1--       0.414                  0.657                  0.518
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.08    -0.09   0.01  -0.01     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.03    -0.00  -0.00  -0.01     0.02  -0.09  -0.01
     7   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.02   0.01   0.13     0.00  -0.00   0.00    -0.00   0.00   0.01
    10   1    -0.02   0.03   0.18    -0.00   0.00   0.01    -0.01   0.01   0.03
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.21  -0.13   0.15     0.05  -0.03   0.04    -0.23   0.13  -0.18
    15   1    -0.04   0.04   0.22    -0.01   0.01   0.04    -0.03   0.02   0.19
    16   1    -0.00   0.05   0.00     0.00   0.03   0.00     0.04   0.91   0.14
    17   1     0.29  -0.17   0.16     0.55  -0.34   0.35    -0.01   0.01  -0.00
    18   1    -0.44  -0.19   0.15     0.57   0.26  -0.23    -0.00  -0.00   0.00
    19   1    -0.04   0.13   0.63    -0.02   0.01   0.04     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3490.3645              3569.0676              3729.6264
 Red. masses --      1.0484                 1.0938                 1.0642
 Frc consts  --      7.5251                 8.2089                 8.7218
 IR Inten    --      1.3575                 4.3036                66.7126
 RamAct Fr= 1--    130.9658                60.1541               148.5612
  Dep-P Fr= 1--      0.0928                 0.6515                 0.2375
  Dep-U Fr= 1--      0.1698                 0.7890                 0.3838
 Alpha2 Fr= 1--      2.3338                 0.1063                 1.8231
 Beta2  Fr= 1--      3.7064                 7.9098                 9.5034
 AlphaG Fr= 1--      0.8952                 0.1784                 0.1683
 Gamma2 Fr= 1--      3.0623                 0.4435                -2.7231
 Delta2 Fr= 1--      0.5762                -0.1827                 1.1260
 Raman1 Fr= 1--     523.863                240.616                594.245
 ROA1   Fr= 1--     312.422                 36.725               -225.384
 CID1   Fr= 1--       0.596                  0.153                 -0.379
 Raman2 Fr= 1--      44.477                 94.917                114.040
 ROA2   Fr= 1--      68.886                 12.105                -74.363
 CID2   Fr= 1--       1.549                  0.128                 -0.652
 Raman3 Fr= 1--      88.954                189.835                228.081
 ROA3   Fr= 1--     312.422                 36.725               -225.384
 CID3   Fr= 1--       3.512                  0.193                 -0.988
 RC180  Fr= 1--      -0.660                  0.578                 -0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.06  -0.03   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.03  -0.02    -0.02   0.02  -0.08     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00  -0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.90   0.41  -0.10
    12   1    -0.41   0.35  -0.40     0.48  -0.39   0.41     0.00  -0.00   0.00
    13   1    -0.16   0.08   0.72    -0.18   0.08   0.64     0.00  -0.00  -0.00
    14   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   633.433281171.676921443.30431
           X            0.99950  -0.02859  -0.01349
           Y            0.02838   0.99948  -0.01560
           Z            0.01393   0.01521   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13674     0.07392     0.06001
 Rotational constants (GHZ):           2.84914     1.54031     1.25042
 Zero-point vibrational energy     430915.6 (Joules/Mol)
                                  102.99130 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     72.12   104.55   240.99   306.48   323.30
          (Kelvin)            374.46   384.32   429.80   504.37   556.19
                              631.14   766.71   855.92   913.56  1112.99
                             1167.85  1219.80  1297.53  1345.52  1369.59
                             1408.48  1540.84  1586.64  1627.77  1693.74
                             1720.75  1797.31  1886.71  1927.20  1951.63
                             1979.57  2015.74  2020.42  2054.91  2141.98
                             2145.65  2167.18  2178.78  2388.54  2601.65
                             4334.64  4356.30  4363.86  4418.20  4438.24
                             4451.31  4460.26  4495.94  5021.86  5135.09
                             5366.10
 
 Zero-point correction=                           0.164127 (Hartree/Particle)
 Thermal correction to Energy=                    0.173697
 Thermal correction to Enthalpy=                  0.174641
 Thermal correction to Gibbs Free Energy=         0.129663
 Sum of electronic and zero-point Energies=           -402.405664
 Sum of electronic and thermal Energies=              -402.396094
 Sum of electronic and thermal Enthalpies=            -402.395150
 Sum of electronic and thermal Free Energies=         -402.440128
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.997             34.516             94.664
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.462
 Vibrational            107.219             28.555             26.015
 Vibration     1          0.595              1.978              4.812
 Vibration     2          0.599              1.967              4.080
 Vibration     3          0.624              1.882              2.463
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.649              1.803              1.921
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.672              1.733              1.615
 Vibration     8          0.692              1.676              1.424
 Vibration     9          0.727              1.574              1.164
 Vibration    10          0.755              1.499              1.013
 Vibration    11          0.799              1.386              0.831
 Vibration    12          0.888              1.177              0.581
 Vibration    13          0.953              1.043              0.459
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.228637D-59        -59.640854       -137.328142
 Total V=0       0.711703D+16         15.852299         36.501266
 Vib (Bot)       0.123935D-72        -72.906805       -167.874123
 Vib (Bot)    1  0.412382D+01          0.615300          1.416780
 Vib (Bot)    2  0.283720D+01          0.452890          1.042818
 Vib (Bot)    3  0.120415D+01          0.080682          0.185776
 Vib (Bot)    4  0.931283D+00         -0.030919         -0.071193
 Vib (Bot)    5  0.878519D+00         -0.056249         -0.129517
 Vib (Bot)    6  0.746183D+00         -0.127155         -0.292785
 Vib (Bot)    7  0.724566D+00         -0.139922         -0.322182
 Vib (Bot)    8  0.637083D+00         -0.195804         -0.450856
 Vib (Bot)    9  0.526116D+00         -0.278919         -0.642234
 Vib (Bot)   10  0.465554D+00         -0.332030         -0.764527
 Vib (Bot)   11  0.394504D+00         -0.403949         -0.930127
 Vib (Bot)   12  0.299309D+00         -0.523880         -1.206278
 Vib (Bot)   13  0.252319D+00         -0.598050         -1.377061
 Vib (V=0)       0.385787D+03          2.586347          5.955285
 Vib (V=0)    1  0.465402D+01          0.667829          1.537732
 Vib (V=0)    2  0.338092D+01          0.529035          1.218148
 Vib (V=0)    3  0.180383D+01          0.256197          0.589915
 Vib (V=0)    4  0.155702D+01          0.192294          0.442772
 Vib (V=0)    5  0.151084D+01          0.179218          0.412665
 Vib (V=0)    6  0.139821D+01          0.145574          0.335196
 Vib (V=0)    7  0.138034D+01          0.139986          0.322329
 Vib (V=0)    8  0.130986D+01          0.117225          0.269921
 Vib (V=0)    9  0.122581D+01          0.088423          0.203601
 Vib (V=0)   10  0.118318D+01          0.073052          0.168209
 Vib (V=0)   11  0.113689D+01          0.055720          0.128299
 Vib (V=0)   12  0.108274D+01          0.034524          0.079495
 Vib (V=0)   13  0.106006D+01          0.025330          0.058324
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.370492D+06          5.568779         12.822587
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3  3        33333333                                        1    1 11111111111 111 111                                    
     7     5  4        11000000                                        8    6 55444443333 211 110  9999 887    65 5   43322222 1     
     3     6  9        20987321                                        0    6 10982007531 497 307  7530 417    39 3   38596621 6  75 
     0     9  0        50451383                                        8    0 46198416691 967 131  9252 824    55 3   97197053 7  30 
 
     X     X  X        XXXXXXXX                                        X    X XXXXXXXXXXX XXX XXX  XXXX XXX    XX X   XXXXXXXX    XX 
     X                  XX  XX                                         X    X          X    X XX      X XX     XX                    
     X                   X                                             X                    X X       X XX     XX                    
     X                                                                 X                    X           XX      X                    
                                                                       X                    X            X      X                    
                                                                       X                    X                   X                    
                                                                       X                    X                                        
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002364    0.000008364   -0.000003506
      2        6          -0.000002945   -0.000009678    0.000003667
      3        6           0.000002924   -0.000013778   -0.000005041
      4        6          -0.000004547    0.000003603   -0.000012835
      5        8          -0.000002952   -0.000003254    0.000009153
      6        6           0.000002797    0.000010544   -0.000002968
      7        7          -0.000006620    0.000000976   -0.000001468
      8        8           0.000005026    0.000003555    0.000000832
      9        1           0.000002883   -0.000002730   -0.000000041
     10        1          -0.000004172    0.000000848    0.000000958
     11        1           0.000002099    0.000001112   -0.000002274
     12        1          -0.000002178   -0.000001433    0.000004236
     13        1           0.000003747   -0.000000240    0.000004683
     14        1           0.000001026    0.000000602   -0.000000495
     15        1          -0.000000735    0.000001359    0.000001001
     16        1          -0.000000232   -0.000001171    0.000003035
     17        1           0.000000806    0.000000600   -0.000001403
     18        1          -0.000001030    0.000001914    0.000001580
     19        1           0.000001739   -0.000001191    0.000000886
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013778 RMS     0.000004352
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.906796D+02  0.352472D+01  0.422197D-01
      2   0.352472D+01  0.817859D+02  0.121328D+01
      3   0.422197D-01  0.121328D+01  0.749504D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.110596D+01 -0.552245D+01  0.251688D+01
      2   0.297131D+01 -0.289680D+01  0.205331D+02
      3   0.770190D+01 -0.392711D+02  0.355136D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.767475D+02 -0.219349D+02  0.698352D+01
      2  -0.294261D+02  0.214285D+02  0.262209D+01
      3  -0.473215D+02  0.506313D+00 -0.960561D+01
      4  -0.232773D+02  0.693609D+02 -0.773050D+01
      5   0.225632D+01 -0.873742D+01  0.245804D+02
      6  -0.259477D+01 -0.170672D+01 -0.129400D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.104609D+01  0.531757D+01 -0.342753D+01  0.433995D+01 -0.609230D+00
      2   0.531757D+01 -0.107851D+01  0.464186D+00 -0.609230D+00 -0.341865D+01
      3  -0.342753D+01  0.464186D+00 -0.978980D+00  0.364464D+00 -0.125752D+01
                 6             7             8             9            10 
      1   0.364464D+00 -0.386968D+01  0.566223D+00 -0.125346D+01  0.197867D+00
      2  -0.125752D+01  0.566223D+00 -0.206404D+01  0.317112D+01 -0.470534D+01
      3   0.210422D+01 -0.125346D+01  0.317112D+01  0.547216D+01  0.211636D+01
                11            12            13            14            15 
      1  -0.470534D+01  0.211636D+01 -0.639844D+01  0.767815D+00 -0.844002D-01
      2   0.161990D+01  0.409240D-01  0.767815D+00  0.523337D+01  0.771349D+00
      3   0.409240D-01  0.141250D+01 -0.844002D-01  0.771349D+00 -0.177896D+01
                16            17            18            19            20 
      1   0.422559D+01 -0.168132D-01  0.207074D+01 -0.102476D+00  0.507893D+01
      2  -0.168132D-01  0.156677D+01 -0.216713D+01  0.507893D+01  0.197374D+00
      3   0.207074D+01 -0.216713D+01 -0.866429D+01 -0.282421D+01 -0.394878D+00
                21            22            23            24            25 
      1  -0.282421D+01  0.358246D+01 -0.163423D+01 -0.832916D+00 -0.336321D+01
      2  -0.394878D+00 -0.163423D+01 -0.514976D+01 -0.159747D+01 -0.177638D+00
      3  -0.732846D+00 -0.832916D+00 -0.159747D+01  0.168815D+01 -0.135231D+01
                26            27            28            29            30 
      1  -0.177638D+00 -0.135231D+01 -0.845962D+00  0.859432D-01  0.422565D+01
      2  -0.239018D+01  0.109100D+01  0.859432D-01  0.295066D+01  0.173531D+01
      3   0.109100D+01  0.700310D+01  0.422565D+01  0.173531D+01  0.222155D+01
                31            32            33            34            35 
      1   0.139359D+01  0.138834D+01  0.194850D+01  0.632090D+01  0.257924D+01
      2   0.138834D+01  0.662578D+00  0.165170D+01  0.257924D+01  0.297296D+01
      3   0.194850D+01  0.165170D+01  0.965026D+00  0.186888D+01  0.369250D+00
                36            37            38            39            40 
      1   0.186888D+01  0.659340D+01  0.215671D+01 -0.156007D+01  0.293064D+01
      2   0.369250D+00  0.215671D+01  0.567241D+00 -0.129332D+01  0.481478D+00
      3   0.138577D-01 -0.156007D+01 -0.129332D+01  0.139920D+01 -0.150065D+01
                41            42            43            44            45 
      1   0.481478D+00 -0.150065D+01 -0.266403D+00 -0.467494D+00 -0.510531D+00
      2   0.113492D+01  0.944612D+00 -0.467494D+00  0.218882D+01  0.339063D+00
      3   0.944612D+00  0.894390D+00 -0.510531D+00  0.339063D+00  0.484648D+01
                46            47            48            49            50 
      1   0.728493D-01  0.392997D+01 -0.276185D+01  0.500005D+01 -0.151009D+01
      2   0.392997D+01 -0.213183D+00  0.483372D+00 -0.151009D+01 -0.590095D+01
      3  -0.276185D+01  0.483372D+00 -0.225859D+01  0.654533D+00 -0.145783D+01
                51            52            53            54            55 
      1   0.654533D+00 -0.487330D+01  0.314380D+00 -0.351216D+01  0.280544D+01
      2  -0.145783D+01  0.314380D+00 -0.158276D+01  0.162562D+01 -0.340852D+01
      3   0.201155D+01 -0.351216D+01  0.162562D+01  0.571979D+01  0.139072D+01
                56            57            58            59            60 
      1  -0.340852D+01  0.139072D+01 -0.132701D+01  0.283806D+01 -0.350210D+00
      2   0.175629D+01 -0.789188D+00  0.283806D+01  0.443862D+01  0.134215D+01
      3  -0.789188D+00  0.247275D+01 -0.350210D+00  0.134215D+01 -0.129405D+01
                61            62            63            64            65 
      1   0.199657D+01 -0.101548D+01  0.312188D+01 -0.707205D+01 -0.288483D+01
      2  -0.101548D+01  0.147745D+01 -0.105826D+01 -0.288483D+01 -0.326181D+01
      3   0.312188D+01 -0.105826D+01 -0.359101D+01 -0.449184D+01 -0.115110D+01
                66            67            68            69            70 
      1  -0.449184D+01 -0.325530D+01 -0.234308D+01 -0.127995D+01 -0.629654D+01
      2  -0.115110D+01 -0.234308D+01 -0.316767D+01 -0.283266D+01 -0.229514D+01
      3  -0.329407D+01 -0.127995D+01 -0.283266D+01 -0.181596D+01 -0.394118D+01
                71            72            73            74            75 
      1  -0.229514D+01 -0.394118D+01  0.584727D+00 -0.542588D+00 -0.820982D+00
      2  -0.446070D+01 -0.203925D+01 -0.542588D+00  0.415305D+00  0.654313D-01
      3  -0.203925D+01 -0.684332D+01 -0.820982D+00  0.654313D-01  0.985673D+00
                76            77            78            79            80 
      1  -0.655442D+00  0.207590D+00  0.664281D-01 -0.136810D+01  0.215554D+00
      2   0.207590D+00  0.498348D+00 -0.952191D+00  0.215554D+00 -0.134973D+01
      3   0.664281D-01 -0.952191D+00 -0.401040D+00  0.443714D+00  0.857680D-02
                81            82            83            84            85 
      1   0.443714D+00 -0.624079D+00  0.877779D+00  0.883369D+00  0.994953D+00
      2   0.857680D-02  0.877779D+00 -0.399175D+00 -0.586772D-01 -0.200569D+00
      3  -0.744857D+01  0.883369D+00 -0.586772D-01 -0.522899D+00 -0.287267D-01
                86            87            88            89            90 
      1  -0.200569D+00 -0.287267D-01  0.148006D+01 -0.118762D+00 -0.406922D+00
      2  -0.246986D+00  0.109455D+01 -0.118762D+00  0.176055D+01  0.887989D+00
      3   0.109455D+01  0.103659D+01 -0.406922D+00  0.887989D+00  0.840904D+01
                91            92            93            94            95 
      1  -0.870486D+01 -0.218884D+01  0.360229D+01 -0.291491D+01 -0.172519D+01
      2  -0.218884D+01 -0.150193D+01  0.928209D+00 -0.172519D+01 -0.107713D+01
      3   0.360229D+01  0.928209D+00 -0.288029D+01  0.133852D+01  0.100783D+01
                96            97            98            99           100 
      1   0.133852D+01  0.119276D+01  0.280019D+00 -0.129458D+01 -0.236129D+01
      2   0.100783D+01  0.280019D+00  0.449745D+00 -0.393032D+00  0.300956D+01
      3  -0.121145D+01 -0.129458D+01 -0.393032D+00  0.183792D+01 -0.125950D+01
               101           102           103           104           105 
      1   0.300956D+01 -0.125950D+01  0.267356D+01 -0.263436D+01  0.107929D+01
      2  -0.371346D+01  0.134742D+01 -0.263436D+01  0.510842D+01 -0.141698D+01
      3   0.134742D+01 -0.128956D+01  0.107929D+01 -0.141698D+01  0.130736D+01
               106           107           108           109           110 
      1  -0.231020D+01  0.191088D+01 -0.153059D+01 -0.188279D+00  0.896234D+00
      2   0.191088D+01 -0.330980D+01  0.195253D+01  0.896234D+00 -0.530128D+00
      3  -0.153059D+01  0.195253D+01 -0.188711D+01  0.355051D+00 -0.579557D+00
               111           112           113           114           115 
      1   0.355051D+00  0.678846D+00 -0.196781D+00 -0.518500D+00  0.146412D+01
      2  -0.579557D+00 -0.196781D+00  0.150833D+01  0.822746D+00 -0.704561D+00
      3  -0.964802D+00 -0.518500D+00  0.822746D+00  0.966933D+00 -0.124782D+01
               116           117           118           119           120 
      1  -0.704561D+00 -0.124782D+01  0.746529D+01 -0.176415D+01  0.250689D+01
      2   0.278401D+01  0.215974D+01 -0.176415D+01  0.125993D+01 -0.580048D+00
      3   0.215974D+01  0.550615D+01  0.250689D+01 -0.580048D+00  0.188315D+01
               121           122           123           124           125 
      1  -0.382680D+01  0.177589D+01 -0.894561D+00  0.454218D+01 -0.721550D+00
      2   0.177589D+01 -0.807009D+00  0.906359D+00 -0.721550D+00  0.115364D+01
      3  -0.894561D+00  0.906359D+00 -0.111684D+01  0.256643D+01 -0.806413D+00
               126           127           128           129           130 
      1   0.256643D+01  0.145364D+01 -0.355353D+00 -0.101814D+01 -0.110940D+01
      2  -0.806413D+00 -0.355353D+00  0.237562D+00  0.312958D-01  0.593016D+00
      3   0.161835D+01 -0.101814D+01  0.312958D-01  0.117531D+01  0.285972D+00
               131           132           133           134           135 
      1   0.593016D+00  0.285972D+00 -0.273782D+01 -0.781680D-01  0.282141D+01
      2   0.116218D+00 -0.817302D+00 -0.781680D-01 -0.128901D+01 -0.376189D+00
      3  -0.817302D+00 -0.106856D+01  0.282141D+01 -0.376189D+00 -0.718300D+01
               136           137           138           139           140 
      1   0.281420D+00  0.111529D+01  0.385617D+00  0.271955D+01  0.198000D+01
      2   0.111529D+01  0.104135D+01  0.580377D-01  0.198000D+01  0.804583D+01
      3   0.385617D+00  0.580377D-01  0.342485D+00  0.501106D-01  0.685982D+00
               141           142           143           144           145 
      1   0.501106D-01  0.831121D+00  0.198077D+00  0.780870D+00  0.449518D+01
      2   0.685982D+00  0.198077D+00  0.961616D+00  0.844512D+00 -0.333072D+01
      3   0.983578D+00  0.780870D+00  0.844512D+00 -0.935807D-01  0.187304D+01
               146           147           148           149           150 
      1  -0.333072D+01  0.187304D+01 -0.232900D+01  0.241409D+01 -0.868383D+00
      2   0.365861D+01 -0.116446D+01  0.241409D+01 -0.339656D+01  0.136875D+01
      3  -0.116446D+01  0.156495D+01 -0.868383D+00  0.136875D+01 -0.116156D+01
               151           152           153           154           155 
      1   0.232800D+01 -0.139588D+01  0.157327D+01 -0.529469D+01 -0.238529D+01
      2  -0.139588D+01  0.243182D+01 -0.178662D+01 -0.238529D+01 -0.337268D+01
      3   0.157327D+01 -0.178662D+01  0.135432D+01  0.141474D+01  0.722369D+00
               156           157           158           159           160 
      1   0.141474D+01 -0.197034D+01 -0.179296D+01  0.519516D+00  0.182715D+01
      2   0.722369D+00 -0.179296D+01 -0.251590D+01  0.846657D+00  0.632967D+00
      3  -0.107970D+01  0.519516D+00  0.846657D+00 -0.908267D+00 -0.884071D+00
               161           162           163           164           165 
      1   0.632967D+00 -0.884071D+00  0.197777D+00 -0.902361D+00 -0.589616D+00
      2   0.154228D+01 -0.124646D+01 -0.902361D+00  0.366660D+00  0.134673D+00
      3  -0.124646D+01  0.583578D+00 -0.589616D+00  0.134673D+00  0.544160D+00
               166           167           168           169           170 
      1  -0.526951D+00  0.200220D+00  0.509616D-01 -0.112321D+01  0.294144D+00
      2   0.200220D+00 -0.106605D+01 -0.111073D+01  0.294144D+00 -0.284344D+01
      3   0.509616D-01 -0.111073D+01 -0.120110D+01  0.686416D+00 -0.257605D+01
               171 
      1   0.686416D+00
      2  -0.257605D+01
      3  -0.665388D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.722741D+01  0.818741D+00 -0.175897D+01  0.533875D+00 -0.562408D+01
      2  -0.400766D+01  0.122630D+01  0.562056D+00  0.616225D+00 -0.116660D+01
      3  -0.101577D+02 -0.149349D+02  0.722023D+01 -0.845867D+01  0.586244D+01
                 6             7             8             9            10 
      1   0.299428D+01 -0.281920D+01  0.103013D+02  0.114113D+02 -0.355789D+00
      2   0.255506D+01 -0.350309D+01  0.386097D+01  0.666270D+01  0.303778D+01
      3   0.850944D+00  0.792520D+01  0.520636D+00 -0.164797D+01  0.836401D+01
                11            12            13            14            15 
      1  -0.547661D-01  0.301525D+00 -0.140342D+01  0.260810D+01 -0.305340D+01
      2  -0.237115D+00  0.506034D+01 -0.133778D+01  0.737364D+00 -0.202327D+01
      3  -0.285805D+01 -0.810225D-01  0.286969D+01 -0.656254D+01 -0.138659D+01
                16            17            18            19            20 
      1   0.822702D+00  0.364556D+01 -0.257796D+01 -0.202950D+01 -0.209616D+01
      2  -0.131254D+01 -0.266163D+01 -0.117123D+02  0.480998D+01  0.226502D-01
      3   0.217141D+01 -0.266422D+01  0.273136D+01 -0.284610D+01 -0.243440D+01
                21            22            23            24            25 
      1   0.312872D+00 -0.171181D+01  0.351297D+01  0.104558D+01  0.130520D+01
      2  -0.908037D+00  0.280239D+01 -0.690307D-01 -0.811257D+00 -0.749707D+01
      3   0.168563D+00 -0.173839D+01 -0.593800D+01  0.246045D+01 -0.344580D+01
                26            27            28            29            30 
      1   0.538710D+01 -0.333214D+01 -0.191538D+01 -0.426002D+01  0.387014D+01
      2  -0.239584D+00 -0.556500D+00 -0.521349D+01 -0.939192D+00 -0.520323D+00
      3   0.213826D+01 -0.994810D+00 -0.884444D+01  0.545366D+01  0.633648D+00
                31            32            33            34            35 
      1   0.195508D+01 -0.162941D+01 -0.990266D+01  0.935559D+00 -0.642602D+01
      2   0.260153D+01 -0.242928D+01 -0.665582D+01  0.103969D+01 -0.228775D+01
      3   0.227116D+02  0.163786D+02 -0.945348D+00 -0.166818D+01 -0.333118D+01
                36            37            38            39            40 
      1   0.415510D+01  0.105203D+01 -0.876783D+00  0.528090D+00 -0.150137D+00
      2  -0.283695D+01 -0.172792D+01  0.879927D+00 -0.765981D+00 -0.452664D-01
      3   0.527040D+00  0.343276D+01 -0.783387D+00 -0.134008D+01 -0.300977D+00
                41            42            43            44            45 
      1   0.661886D+00 -0.824360D-01 -0.956600D-01  0.546241D+01  0.243544D+00
      2  -0.343566D+01 -0.105690D+01 -0.777563D+01 -0.194157D+01 -0.795696D+01
      3   0.655130D-01  0.321809D+01  0.496714D+00  0.393835D+01  0.885927D+00
                46            47            48            49            50 
      1   0.114014D+01  0.454973D+00  0.590103D+00  0.164557D+01  0.222514D+01
      2  -0.985664D+01  0.156800D+01 -0.571691D+01  0.297409D+01 -0.435604D+01
      3  -0.102443D+02  0.985939D+00 -0.233959D+01  0.104881D+02  0.190271D+02
                51            52            53            54            55 
      1  -0.240826D+01  0.151040D+01  0.122320D+01 -0.286248D+01 -0.135957D+01
      2   0.512540D+01 -0.145582D+02  0.412606D+01  0.160926D+02  0.106587D+01
      3   0.385983D+01 -0.416300D+01  0.486775D+01 -0.653123D+01  0.825833D+01
                56            57            58            59            60 
      1   0.415650D+01 -0.802934D+01  0.327397D+01 -0.448592D+01 -0.256461D+01
      2   0.224786D+01  0.472531D+01 -0.296961D+00  0.376194D+00  0.211066D+01
      3  -0.144993D+02  0.166534D+01  0.199408D+01  0.667065D+01 -0.354540D+01
                61            62            63            64            65 
      1  -0.800893D+01  0.840542D+01  0.871968D+01  0.266554D+01  0.735135D+01
      2  -0.144732D+01  0.466953D+00 -0.119701D+01  0.952820D-01  0.805299D-01
      3   0.450200D+01 -0.281369D+01  0.773945D+01  0.294190D+01 -0.730880D+01
                66            67            68            69            70 
      1  -0.306725D+01 -0.749066D-01  0.324838D+01 -0.112551D+01  0.116016D+01
      2   0.933349D+01 -0.346546D+01  0.443981D+01  0.545244D+01 -0.255188D+01
      3  -0.347506D+00 -0.394783D+01 -0.917786D+01 -0.259931D+01  0.486936D+00
                71            72            73            74            75 
      1   0.936624D+01 -0.197519D+01  0.911987D+00 -0.372001D+00 -0.463451D+00
      2   0.288491D+01  0.113094D+02  0.549802D+00 -0.679407D+00  0.111410D+01
      3  -0.181768D+01 -0.188830D+01  0.644084D+00 -0.684891D+00 -0.534559D+00
                76            77            78            79            80 
      1   0.392593D-01  0.221397D+00 -0.446441D+00 -0.651811D+00  0.350325D+01
      2  -0.885414D+00  0.321227D+00 -0.610474D-01 -0.390996D+01  0.332251D+00
      3   0.135072D+01 -0.834720D-01 -0.159459D+00 -0.347371D+00  0.142902D+00
                81            82            83            84            85 
      1   0.352834D+01  0.102598D+01 -0.647671D+00 -0.108953D+00 -0.163412D+00
      2   0.997294D+00  0.208670D+01 -0.617305D+00 -0.343781D+00 -0.114595D+01
      3  -0.184990D+00 -0.947991D+00 -0.810194D+00 -0.248248D+00  0.130183D+01
                86            87            88            89            90 
      1   0.585499D+00 -0.496160D+00 -0.677142D+00  0.419576D+01  0.229387D+01
      2   0.176330D+01  0.123868D+01 -0.497279D+01  0.155760D+01  0.105543D+02
      3   0.163716D+00 -0.112082D+01 -0.199774D+00 -0.171352D+01 -0.674805D+00
                91            92            93            94            95 
      1  -0.543942D+00 -0.165831D+01 -0.996632D+00 -0.105221D+01 -0.151366D+01
      2   0.114405D+01 -0.109103D+00  0.492092D+01  0.242203D+00 -0.458464D+00
      3  -0.130223D+01 -0.416559D+01  0.633971D+00 -0.175575D+01 -0.296744D+01
                96            97            98            99           100 
      1  -0.440653D+00  0.749029D+00  0.939436D+00 -0.313732D+00  0.273379D+01
      2   0.227961D+01 -0.533029D+00  0.133448D-01 -0.119305D+01 -0.169849D+01
      3   0.116870D+01  0.643279D+00  0.104733D+01 -0.500573D+00 -0.736862D+01
               101           102           103           104           105 
      1  -0.285452D+01  0.436864D+01 -0.286940D+01  0.220365D+01 -0.373412D+01
      2  -0.277415D+00  0.873347D+00  0.282295D+00  0.174792D+00 -0.920489D+00
      3   0.499963D+01 -0.316554D+01  0.857993D+01 -0.582821D+01  0.320480D+01
               106           107           108           109           110 
      1   0.372595D+01 -0.254730D+01  0.389533D+01 -0.137673D+01  0.863065D+00
      2  -0.130762D+01 -0.409623D+00  0.614348D+00  0.872998D+00  0.374113D-01
      3  -0.685431D+01  0.428516D+01 -0.428932D+01 -0.889244D+00  0.759846D+00
               111           112           113           114           115 
      1   0.354349D+01  0.106259D+01 -0.276941D+01 -0.281527D+01  0.362034D+01
      2  -0.236698D+00  0.145004D+00 -0.441489D-01 -0.858080D-01 -0.292945D+01
      3   0.769329D+00  0.175516D+01 -0.110791D+01 -0.136435D+01  0.410891D+01
               116           117           118           119           120 
      1  -0.361735D+01 -0.143889D+02 -0.575667D+00  0.701584D+00  0.107572D-01
      2   0.293508D+00  0.661016D+00  0.657248D+01 -0.207555D+01  0.814397D+01
      3  -0.166618D+01 -0.392565D+01  0.711247D+01 -0.685477D+01  0.302792D+01
               121           122           123           124           125 
      1  -0.144247D+00 -0.789796D+00 -0.575434D+00 -0.312321D+00  0.173333D+01
      2  -0.243901D+01  0.255619D+01 -0.440747D+01  0.582252D+01 -0.264583D+01
      3  -0.470521D+01  0.403350D+01 -0.271232D+01  0.354273D+01 -0.477759D+01
               126           127           128           129           130 
      1   0.503166D-02  0.613159D+00 -0.354007D+00 -0.779789D+00  0.683101D-01
      2   0.533734D+01 -0.262715D+01 -0.103393D-01  0.471019D+01  0.164317D+00
      3   0.333286D+01  0.150773D+01 -0.180621D+01 -0.669742D+00 -0.840184D+00
               131           132           133           134           135 
      1   0.699097D+00 -0.297397D+00 -0.982349D+00  0.347103D+01  0.311754D+01
      2  -0.206825D+01 -0.299435D+01  0.410414D+01 -0.139901D+01 -0.208694D+02
      3  -0.284137D-01  0.179537D+01 -0.582162D+00  0.441513D+01  0.273435D+01
               136           137           138           139           140 
      1  -0.200417D+00 -0.356891D+00 -0.598801D+00 -0.201629D+00 -0.933552D+00
      2   0.130384D+01 -0.956329D-01  0.123904D+01 -0.240363D+00  0.226610D+01
      3  -0.355672D+01 -0.183327D+01  0.506905D-01  0.108752D+01 -0.242310D+02
               141           142           143           144           145 
      1  -0.295636D+01 -0.738295D+00  0.397042D+00  0.117855D-01  0.360933D+01
      2   0.357253D+01  0.475140D+00  0.216521D+01 -0.460198D+00  0.113496D+01
      3  -0.208384D+01  0.404659D+00 -0.274820D+01 -0.137868D+01 -0.645597D+01
               146           147           148           149           150 
      1  -0.127733D+01  0.458196D+01 -0.175181D+01  0.214157D+01 -0.370952D+01
      2  -0.126618D+01  0.363102D+01 -0.439521D+00  0.144743D+01 -0.220354D+01
      3  -0.393802D+00 -0.262630D+01  0.466105D+01 -0.515348D+00  0.495885D+00
               151           152           153           154           155 
      1   0.308004D+01 -0.165822D+01  0.279849D+01  0.294791D+01  0.458501D+00
      2   0.341967D+00 -0.208950D+01  0.197020D+01  0.304026D+01  0.685871D+00
      3  -0.438652D+01 -0.837822D+00 -0.919869D+00  0.174991D+02  0.586569D+01
               156           157           158           159           160 
      1  -0.341040D+01  0.700113D+00  0.111311D+01 -0.277934D+01 -0.219847D+01
      2   0.460335D+00  0.758800D+00  0.105269D+01  0.766828D-01 -0.259694D+01
      3  -0.412611D+01  0.826600D+01  0.536434D+01 -0.207625D+01 -0.533763D+01
               161           162           163           164           165 
      1  -0.924380D+00  0.102355D+01 -0.111545D+01  0.373851D-02  0.110600D+01
      2  -0.101287D+01  0.230647D+00 -0.561418D+00  0.165206D+00  0.119379D+01
      3  -0.208785D+01  0.308926D+01  0.109040D+01  0.408974D+00  0.702293D+00
               166           167           168           169           170 
      1   0.222990D+00 -0.208150D+01 -0.412847D+01  0.133732D+01 -0.196385D+01
      2  -0.291129D+00 -0.110762D+01 -0.119109D+01 -0.222896D+01 -0.277583D+01
      3   0.202229D+01  0.636618D+00  0.960611D+00  0.270292D+01  0.310241D+01
               171 
      1  -0.151464D+02
      2  -0.766863D+01
      3   0.189595D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.111367D+02  0.133286D+02 -0.820607D+01  0.902192D+01 -0.120274D+02
      2  -0.183546D+02 -0.587960D+01  0.349549D+01 -0.287182D+01  0.164191D+02
      3   0.721794D+01 -0.744902D+01  0.471059D+01 -0.615011D+01 -0.439169D+01
      4   0.877986D+01 -0.208938D+02  0.137089D+02 -0.187397D+02 -0.277455D+01
      5  -0.772314D+01  0.653500D+01 -0.497363D+01  0.444297D+01 -0.377119D+01
      6   0.168392D+02 -0.177862D+01  0.424638D+01 -0.199641D+01  0.873140D+01
                 6             7             8             9            10 
      1  -0.942132D+00 -0.886820D+01 -0.269370D-01  0.508692D+01 -0.142190D+02
      2   0.578791D+01  0.219161D+01  0.690265D+01 -0.539640D+01  0.105931D+02
      3  -0.484578D+01  0.667659D+01 -0.687571D+01  0.309478D+00  0.362591D+01
      4  -0.432887D+01  0.129430D+02 -0.665380D+01  0.107053D+02 -0.140714D+02
      5   0.564934D+01 -0.658785D+01  0.839648D+01  0.130350D+02  0.615735D+01
      6  -0.929402D+01  0.543915D+01 -0.142505D+02 -0.202846D+02 -0.282583D+01
                11            12            13            14            15 
      1  -0.150402D+02  0.418150D+01 -0.186890D+02  0.116207D+02  0.203697D+01
      2   0.824691D+01 -0.461200D+01  0.112879D+02 -0.132918D+02 -0.188392D+00
      3   0.679328D+01  0.430494D+00  0.740107D+01  0.167117D+01 -0.184857D+01
      4   0.562390D+01 -0.131693D+01  0.654097D+01  0.928121D+01  0.181384D+01
      5  -0.299321D+00  0.301417D+01 -0.590294D+00  0.189568D+01 -0.495415D+01
      6   0.371693D+00 -0.139659D+01  0.950606D+00 -0.279651D+01 -0.542993D-01
                16            17            18            19            20 
      1   0.105590D+02  0.261689D+01  0.101260D+02 -0.173628D+02 -0.689887D+01
      2  -0.550105D+01 -0.243667D-01  0.519064D+01  0.171528D+02  0.104560D+02
      3  -0.505794D+01 -0.259252D+01 -0.153166D+02  0.210022D+00 -0.355712D+01
      4  -0.168545D+01  0.204628D+01 -0.494598D+01  0.411818D+00  0.271101D+01
      5   0.103903D+02 -0.422379D+01 -0.212566D+02  0.964791D+01  0.224208D+01
      6  -0.833206D+00  0.616103D+01  0.385105D+00  0.253010D+01 -0.773471D-01
                21            22            23            24            25 
      1   0.445205D+01  0.759736D+01  0.126952D+02  0.735905D+01 -0.395655D+01
      2  -0.412607D+01 -0.767422D+01 -0.235168D+02 -0.452428D+01 -0.112775D+01
      3  -0.325982D+00  0.768601D-01  0.108217D+02 -0.283477D+01  0.508430D+01
      4   0.354357D+01 -0.123277D+02 -0.112974D+01  0.288419D+01  0.174603D+01
      5  -0.211055D+01  0.638568D+01  0.587474D+01 -0.139621D+01  0.427984D+00
      6  -0.123286D+00  0.294889D+01 -0.719281D+00 -0.330990D+01  0.450990D-01
                26            27            28            29            30 
      1   0.517252D+01  0.606117D+01 -0.433532D+01 -0.114339D+01 -0.998810D+01
      2  -0.629838D+01  0.886873D+01  0.789493D+01  0.268296D+01  0.804512D+01
      3   0.112586D+01 -0.149299D+02 -0.355961D+01 -0.153956D+01  0.194298D+01
      4  -0.376036D+01  0.341150D+00 -0.357438D+01 -0.515877D+01 -0.800765D+01
      5   0.798274D+00  0.278526D+01 -0.226254D+02 -0.960684D+01 -0.176056D+02
      6   0.254523D+01  0.696976D+01 -0.621474D+01 -0.437440D+01 -0.529220D+01
                31            32            33            34            35 
      1  -0.454512D+01 -0.536408D+01 -0.508293D+01 -0.264979D+02 -0.113009D+02
      2   0.240201D+01  0.867381D+01  0.662049D+01  0.127449D+02  0.271835D+01
      3   0.214311D+01 -0.330973D+01 -0.153757D+01  0.137531D+02  0.858255D+01
      4   0.464452D+01 -0.887995D+01 -0.288486D+01 -0.157811D+02 -0.705489D+01
      5  -0.131167D+02 -0.684711D+01 -0.102120D+02 -0.170062D+02 -0.174772D+01
      6  -0.201972D+01 -0.575690D+01  0.818496D+00  0.201362D+00 -0.811781D+01
                36            37            38            39            40 
      1  -0.122863D+01 -0.218895D+02 -0.857196D+01  0.706795D+01 -0.131503D+02
      2   0.665902D+01  0.100110D+02  0.358120D+01 -0.274558D+01  0.812385D+01
      3  -0.543039D+01  0.118785D+02  0.499077D+01 -0.432237D+01  0.502644D+01
      4  -0.164743D+01 -0.135561D+02 -0.117386D+01  0.710516D+01 -0.109783D+01
      5  -0.523994D+01  0.146580D+02  0.948461D+01 -0.789544D+00  0.105775D+02
      6  -0.315322D+01  0.670839D+01  0.147659D+01 -0.263008D+01  0.217127D+01
                41            42            43            44            45 
      1  -0.603515D+01  0.600138D+01  0.534773D+01  0.122066D+01 -0.138620D+02
      2   0.485092D+01 -0.508199D+01  0.275881D+01  0.347552D+01 -0.106954D+02
      3   0.118422D+01 -0.919386D+00 -0.810654D+01 -0.469618D+01  0.245574D+02
      4  -0.347497D+01 -0.412097D+01  0.672662D+01 -0.263067D+01 -0.472044D+01
      5  -0.282072D+01 -0.461375D+01  0.827361D+01 -0.388747D+01 -0.200987D+02
      6   0.154161D+01  0.553732D+01 -0.345782D+01  0.791225D+01 -0.122573D+01
                46            47            48            49            50 
      1   0.792842D-01  0.236880D+02 -0.185284D+02  0.281341D+02 -0.486435D+01
      2   0.483808D+00 -0.144211D+02  0.890808D+01 -0.183914D+02 -0.329565D+01
      3  -0.563092D+00 -0.926694D+01  0.962036D+01 -0.974269D+01  0.816000D+01
      4   0.241620D+02 -0.236000D+01  0.256089D+01 -0.803096D+01 -0.272697D+02
      5  -0.212856D+02  0.331541D+01 -0.135783D+02  0.480517D+01 -0.966973D+01
      6  -0.882632D-01 -0.318949D+00  0.311257D+00 -0.172412D+01 -0.259009D+01
                51            52            53            54            55 
      1   0.630900D+01 -0.252085D+02  0.362887D+01 -0.134587D+02  0.196536D+02
      2  -0.335425D+01  0.102370D+02 -0.172081D+01  0.155791D+02 -0.189244D+02
      3  -0.295475D+01  0.149715D+02 -0.190806D+01 -0.212041D+01 -0.729193D+00
      4  -0.750551D+01  0.395241D+01 -0.608697D+01  0.862301D+01  0.872631D+01
      5   0.113654D+02 -0.227098D+02  0.942144D+01  0.304991D+02 -0.292099D+01
      6   0.115446D+01  0.331369D+00 -0.124956D+01  0.165615D+01  0.595225D+01
                56            57            58            59            60 
      1  -0.155959D+01 -0.219874D+00 -0.661317D+01 -0.192883D+02 -0.510160D+01
      2   0.417270D+01 -0.259090D+01  0.138729D+02  0.326696D+02  0.607152D+01
      3  -0.261311D+01  0.281077D+01 -0.725969D+01 -0.133813D+02 -0.969918D+00
      4  -0.798686D+01  0.428343D+01  0.124671D+01  0.141054D+02 -0.503778D+01
      5   0.290901D+01  0.928062D+00 -0.841988D+00 -0.428451D+01  0.300208D+01
      6  -0.507566D+01  0.123206D+02 -0.607736D+01  0.655908D+01  0.110523D+01
                61            62            63            64            65 
      1   0.256239D+01 -0.100738D+01  0.240115D+01  0.390120D+02  0.101227D+02
      2  -0.307719D+01  0.629134D+01 -0.195403D+01 -0.264478D+02 -0.630220D+01
      3   0.514805D+00 -0.528395D+01 -0.447117D+00 -0.125642D+02 -0.382050D+01
      4   0.543306D+01 -0.341130D+01  0.112512D+02  0.135178D+02  0.152373D+02
      5   0.163072D+01  0.416986D+01  0.668108D+00  0.299310D+02  0.738100D+01
      6   0.151301D+02 -0.206397D+01 -0.142006D+02  0.569079D+01  0.688068D+01
                66            67            68            69            70 
      1   0.135741D+02  0.506098D+01  0.782613D+00 -0.371723D+00  0.205603D+02
      2  -0.128080D+02 -0.609952D+00  0.516277D+01 -0.318445D+00 -0.190613D+02
      3  -0.766133D+00 -0.445103D+01 -0.594538D+01  0.690168D+00 -0.149898D+01
      4   0.706576D+01  0.166415D+02  0.176984D+02  0.113489D+02  0.995129D+01
      5   0.275246D+02  0.929766D+01  0.132465D+02  0.110182D+02  0.291056D+02
      6   0.510602D+01  0.496733D+01  0.925621D+01  0.114020D+02  0.563520D+01
                71            72            73            74            75 
      1   0.543895D+01  0.132911D+01  0.113542D+01 -0.667055D-01 -0.362123D+00
      2  -0.646485D+01 -0.152654D+02 -0.417050D+01  0.169413D-01  0.159558D+01
      3   0.102589D+01  0.139363D+02  0.303508D+01  0.497643D-01 -0.123346D+01
      4   0.114273D+02  0.756265D+01  0.636230D+00  0.160398D+01 -0.139316D+01
      5   0.999466D+01  0.348236D+02 -0.267062D+01 -0.482082D+00  0.672875D+01
      6   0.123907D+02  0.915927D+01 -0.132263D+01 -0.693817D+00  0.960174D+00
                76            77            78            79            80 
      1   0.227078D+00 -0.434534D+01 -0.801296D+00  0.463552D+00  0.141506D+01
      2   0.857637D-01  0.177378D+01 -0.133025D+01  0.214044D+01 -0.201227D+01
      3  -0.312841D+00  0.257157D+01  0.213154D+01 -0.260399D+01  0.597200D+00
      4   0.213494D+01 -0.450687D+00 -0.679368D+00 -0.608512D+00  0.225764D+00
      5  -0.155784D+00 -0.105582D+01 -0.696002D+00  0.415797D+01  0.315128D+00
      6  -0.618181D+00 -0.448738D-01  0.597199D+01  0.890864D-01  0.369890D+01
                81            82            83            84            85 
      1  -0.155146D+02  0.197018D+01  0.236759D+01  0.256154D+01  0.297180D+01
      2  -0.143785D+02 -0.439392D+01 -0.900019D+00  0.297288D+00 -0.177091D+01
      3   0.298931D+02  0.242373D+01 -0.146757D+01 -0.285883D+01 -0.120089D+01
      4   0.769158D+00  0.234095D+01  0.797547D+00  0.166817D+00  0.139391D+01
      5  -0.293016D+01  0.504910D+00  0.186250D+00  0.515828D+01 -0.429028D-01
      6  -0.752557D+01  0.973142D-01 -0.430607D+00 -0.407934D+00 -0.274463D+00
                86            87            88            89            90 
      1  -0.489512D+01 -0.163407D+01  0.460185D+01 -0.627342D+00 -0.168463D+02
      2   0.171351D+01 -0.101063D+01 -0.171024D+01 -0.257857D+01 -0.149730D+02
      3   0.318162D+01  0.264470D+01 -0.289162D+01  0.320591D+01  0.318193D+02
      4  -0.521419D+00  0.200280D+01  0.483015D+00  0.316894D+01  0.251718D+01
      5   0.225200D+01  0.219908D+01  0.250819D+01  0.186726D+01  0.180620D+02
      6   0.210712D+01  0.714544D+01  0.121728D+00  0.358052D+01  0.194922D+00
                91            92            93            94            95 
      1   0.411001D+02  0.927476D+01 -0.142596D+02  0.105409D+02  0.516449D+01
      2  -0.240204D+02 -0.483205D+01  0.105119D+02 -0.475881D+01 -0.112417D+01
      3  -0.170797D+02 -0.444271D+01  0.374772D+01 -0.578212D+01 -0.404032D+01
      4   0.124792D+02  0.831015D+01 -0.519944D+01  0.117536D+02  0.659089D+01
      5  -0.274512D+02 -0.708413D+01  0.174906D+02 -0.971658D+01 -0.634099D+01
      6  -0.608508D+01 -0.367644D+01  0.340925D+01 -0.473603D+01 -0.319984D+01
                96            97            98            99           100 
      1  -0.425341D+01 -0.182165D+01 -0.210674D-01  0.298699D+01 -0.261817D+01
      2   0.300100D+01  0.439801D+01  0.991997D+00 -0.505957D+01  0.906944D+01
      3   0.125241D+01 -0.257635D+01 -0.970930D+00  0.207258D+01 -0.645127D+01
      4  -0.521278D+01 -0.120088D+01 -0.124421D+01  0.188155D+01 -0.120537D+02
      5   0.667402D+01  0.928887D+01  0.247403D+01 -0.961146D+01  0.379108D+01
      6   0.380884D+01  0.167183D+01  0.173522D+01 -0.209027D+01 -0.726476D+01
               101           102           103           104           105 
      1   0.736637D+01 -0.224479D+01  0.463605D+01 -0.120725D+02  0.350748D+01
      2  -0.150564D+02  0.450543D+01 -0.106692D+02  0.221816D+02 -0.632583D+01
      3   0.769001D+01 -0.226064D+01  0.603310D+01 -0.101092D+02  0.281835D+01
      4   0.174586D+02 -0.659609D+01  0.149844D+02 -0.144706D+02  0.599287D+01
      5  -0.360584D+01  0.410160D+01 -0.173844D+01  0.336050D+01 -0.207570D+01
      6   0.923711D+01 -0.798511D+01  0.725235D+01 -0.943822D+01  0.815846D+01
               106           107           108           109           110 
      1  -0.399751D+01  0.708937D+01 -0.587096D+01 -0.213914D+01  0.153622D+01
      2   0.554844D+01 -0.995788D+01  0.493732D+01  0.275608D+01 -0.192010D+01
      3  -0.155094D+01  0.286851D+01  0.933632D+00 -0.616942D+00  0.383877D+00
      4  -0.958144D+01  0.921648D+01 -0.743782D+01 -0.113884D+01  0.504873D+01
      5   0.423705D+01 -0.373599D+01  0.380649D+01 -0.124257D+01  0.704309D+00
      6  -0.855690D+01  0.121284D+02 -0.991911D+01  0.107663D+01 -0.365635D+01
               111           112           113           114           115 
      1   0.214223D+01  0.378239D+00 -0.494068D+01 -0.226168D+01  0.149521D+01
      2  -0.177147D+01 -0.739436D+00  0.681124D+01  0.334305D+01 -0.148648D+01
      3  -0.370765D+00  0.361197D+00 -0.187056D+01 -0.108137D+01 -0.872940D-02
      4   0.166511D+01  0.419720D+01 -0.175463D+01 -0.280870D+01  0.550400D+01
      5   0.257526D+01  0.307806D+00 -0.152003D+01 -0.100746D+01  0.225291D+01
      6  -0.530095D+01 -0.322005D+01  0.377706D+01  0.713654D+01 -0.618782D+01
               116           117           118           119           120 
      1  -0.824366D+01 -0.993976D+01  0.545488D+02 -0.115241D+02  0.166392D+02
      2   0.891340D+01  0.222764D+01 -0.299144D+02  0.595187D+01 -0.987932D+01
      3  -0.669738D+00  0.771211D+01 -0.246344D+02  0.557222D+01 -0.675989D+01
      4  -0.418394D+01 -0.494314D+01 -0.114290D+02  0.104976D+02 -0.388284D+01
      5  -0.211437D+01 -0.381470D+01  0.196972D+02 -0.463889D+01  0.159372D+02
      6   0.113695D+02  0.248634D+02 -0.329479D+00  0.514903D+00  0.194855D+00
               121           122           123           124           125 
      1  -0.227512D+02  0.807786D+01 -0.530881D+01  0.260214D+02 -0.385989D+01
      2   0.123039D+02 -0.198386D+01  0.316621D+01 -0.159598D+02  0.249865D+01
      3   0.104473D+02 -0.609401D+01  0.214260D+01 -0.100617D+02  0.136125D+01
      4   0.133895D+02 -0.737000D+01  0.584799D+01 -0.517458D+01  0.751758D+01
      5  -0.754171D+01  0.599016D+01 -0.813267D+01  0.202495D+02 -0.570047D+01
      6   0.153443D+01 -0.150796D+01  0.187564D+01 -0.770516D+00  0.224130D+01
               126           127           128           129           130 
      1   0.122913D+02  0.908276D+01 -0.251220D+01 -0.571857D+01 -0.609569D+01
      2  -0.111394D+02 -0.753422D+01  0.174430D+01  0.478225D+01  0.406199D+01
      3  -0.115184D+01 -0.154855D+01  0.767900D+00  0.936322D+00  0.203370D+01
      4  -0.497122D+01 -0.203824D+01  0.258751D+01  0.572116D-01  0.447058D+01
      5   0.131285D+02 -0.703358D+01  0.535343D+00  0.124647D+02  0.227218D+01
      6  -0.129538D+01  0.131101D+00 -0.393111D-01  0.809512D+00 -0.161923D+01
               131           132           133           134           135 
      1   0.479664D+00 -0.760846D-01 -0.128097D+02 -0.857300D+00  0.361078D+01
      2  -0.368395D+00 -0.129362D+01  0.118373D+02 -0.240223D+00 -0.179920D+02
      3  -0.111269D+00  0.136970D+01  0.972391D+00  0.109752D+01  0.143813D+02
      4   0.370795D+00 -0.471734D+01 -0.743859D+00 -0.737344D+01 -0.284538D+01
      5  -0.423967D+01 -0.591522D+01  0.212462D+02 -0.269142D+01 -0.420374D+02
      6   0.141749D+01  0.408025D+01  0.271655D+00  0.439040D+01 -0.195929D+01
               136           137           138           139           140 
      1   0.208051D+01  0.343459D+01  0.239733D+01  0.122566D+02 -0.384079D+00
      2   0.197271D+01  0.117844D+01 -0.113714D+01 -0.344820D+01  0.151504D+02
      3  -0.405321D+01 -0.461303D+01 -0.126020D+01 -0.880841D+01 -0.147663D+02
      4   0.499446D+01  0.106132D+02  0.576910D+00  0.162877D+02  0.413283D+02
      5   0.231087D+01  0.159254D+00  0.271703D+01  0.264369D+00  0.491909D+01
      6   0.257494D+00 -0.153407D+00  0.707795D+00  0.916942D+00  0.212890D+01
               141           142           143           144           145 
      1  -0.898721D+00  0.441587D+01 -0.755153D+00  0.103820D+01  0.133148D+02
      2   0.155191D+01 -0.196919D+01  0.108893D+01 -0.103842D+01  0.129977D+01
      3  -0.653192D+00 -0.244668D+01 -0.333780D+00  0.212340D-03 -0.146146D+02
      4   0.391350D+01  0.131865D+01  0.446864D+01  0.393280D+01 -0.270523D+02
      5   0.638768D+01  0.558593D+01  0.454246D+01 -0.734513D+00  0.939600D+01
      6   0.447855D+01  0.127080D+01  0.552238D+01  0.158499D+01 -0.965998D+01
               146           147           148           149           150 
      1  -0.301848D+01  0.334710D+01 -0.196618D+01 -0.314174D+01  0.156275D+01
      2  -0.928756D+01  0.711026D-01 -0.724417D+01  0.151740D+02 -0.500599D+01
      3   0.123060D+02 -0.341820D+01  0.921035D+01 -0.120322D+02  0.344324D+01
      4   0.248284D+02 -0.105458D+02  0.190344D+02 -0.201739D+02  0.762231D+01
      5  -0.621994D+01  0.847101D+01 -0.402487D+01  0.587177D+01 -0.447189D+01
      6   0.752850D+01 -0.894092D+01  0.587791D+01 -0.900815D+01  0.823991D+01
               151           152           153           154           155 
      1   0.428961D+01  0.258807D+01 -0.929981D+00 -0.894111D+01 -0.142757D+02
      2  -0.480699D+00 -0.722506D+01  0.106666D+01  0.109301D+02  0.179864D+02
      3  -0.380891D+01  0.463699D+01 -0.136682D+00 -0.198896D+01 -0.371075D+01
      4  -0.125155D+02  0.116839D+02 -0.101279D+02  0.151554D+02  0.823734D+01
      5   0.884597D+01 -0.712619D+01  0.721241D+01 -0.979908D+00 -0.141534D+01
      6  -0.821956D+01  0.108845D+02 -0.776495D+01 -0.743168D+01 -0.514872D+01
               156           157           158           159           160 
      1   0.474988D+01 -0.884860D+01 -0.111135D+02  0.353765D+01  0.493717D+01
      2  -0.362822D+01  0.112594D+02  0.164337D+02 -0.452081D+01 -0.281005D+01
      3  -0.112165D+01 -0.241084D+01 -0.532026D+01  0.983164D+00 -0.212712D+01
      4  -0.498102D+01  0.989969D+01  0.547049D+01 -0.156218D+01 -0.577831D+01
      5   0.172551D+01 -0.469632D+00 -0.261979D+00 -0.196944D+00  0.284235D+01
      6   0.625944D+01 -0.362900D+01 -0.537515D+01  0.590003D+01  0.461184D+01
               161           162           163           164           165 
      1   0.577732D+01 -0.569048D+01 -0.702819D+00 -0.180807D+01 -0.152903D+01
      2  -0.687242D+01  0.347063D+01  0.114343D+01  0.231426D+00  0.105830D+01
      3   0.109509D+01  0.221984D+01 -0.440616D+00  0.157665D+01  0.470738D+00
      4  -0.491628D+00  0.155241D+01 -0.276533D+01  0.580396D+01  0.240243D+01
      5  -0.688248D+00 -0.192490D+01 -0.211892D+01  0.111340D+01  0.517137D+01
      6   0.772501D+01 -0.355405D+01  0.193919D+01 -0.585852D+00 -0.224821D+01
               166           167           168           169           170 
      1  -0.515616D+00 -0.487213D+01 -0.439068D+01 -0.212231D+01 -0.905693D+01
      2  -0.520101D+00  0.561401D+01  0.503011D+01  0.129919D+01  0.970513D+01
      3   0.103572D+01 -0.741888D+00 -0.639432D+00  0.823114D+00 -0.648202D+00
      4   0.425620D+01 -0.305058D+01 -0.252582D+01  0.501157D+01 -0.686361D+01
      5  -0.114509D+00 -0.259871D+01 -0.262377D+01  0.594046D+01 -0.653920D+01
      6  -0.662925D+00  0.613138D+01  0.107955D+02 -0.326870D+01  0.151823D+02
               171 
      1  -0.115572D+02
      2  -0.745397D-01
      3   0.116317D+02
      4  -0.749710D+01
      5  -0.163297D+02
      6   0.293724D+02
 Leave Link  716 at Sun Sep 26 20:16:03 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.906796D+02  0.352472D+01  0.422197D-01
      2   0.352472D+01  0.817859D+02  0.121328D+01
      3   0.422197D-01  0.121328D+01  0.749504D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.110596D+01 -0.552245D+01  0.251688D+01
      2   0.297131D+01 -0.289680D+01  0.205331D+02
      3   0.770190D+01 -0.392711D+02  0.355136D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.767475D+02 -0.219349D+02  0.698352D+01
      2  -0.294261D+02  0.214285D+02  0.262209D+01
      3  -0.473215D+02  0.506313D+00 -0.960561D+01
      4  -0.232773D+02  0.693609D+02 -0.773050D+01
      5   0.225632D+01 -0.873742D+01  0.245804D+02
      6  -0.259477D+01 -0.170672D+01 -0.129400D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.104609D+01  0.531757D+01 -0.342753D+01  0.433995D+01 -0.609230D+00
      2   0.531757D+01 -0.107851D+01  0.464186D+00 -0.609230D+00 -0.341865D+01
      3  -0.342753D+01  0.464186D+00 -0.978980D+00  0.364464D+00 -0.125752D+01
                 6             7             8             9            10 
      1   0.364464D+00 -0.386968D+01  0.566223D+00 -0.125346D+01  0.197867D+00
      2  -0.125752D+01  0.566223D+00 -0.206404D+01  0.317112D+01 -0.470534D+01
      3   0.210422D+01 -0.125346D+01  0.317112D+01  0.547216D+01  0.211636D+01
                11            12            13            14            15 
      1  -0.470534D+01  0.211636D+01 -0.639844D+01  0.767815D+00 -0.844002D-01
      2   0.161990D+01  0.409240D-01  0.767815D+00  0.523337D+01  0.771349D+00
      3   0.409240D-01  0.141250D+01 -0.844002D-01  0.771349D+00 -0.177896D+01
                16            17            18            19            20 
      1   0.422559D+01 -0.168132D-01  0.207074D+01 -0.102476D+00  0.507893D+01
      2  -0.168132D-01  0.156677D+01 -0.216713D+01  0.507893D+01  0.197374D+00
      3   0.207074D+01 -0.216713D+01 -0.866429D+01 -0.282421D+01 -0.394878D+00
                21            22            23            24            25 
      1  -0.282421D+01  0.358246D+01 -0.163423D+01 -0.832916D+00 -0.336321D+01
      2  -0.394878D+00 -0.163423D+01 -0.514976D+01 -0.159747D+01 -0.177638D+00
      3  -0.732846D+00 -0.832916D+00 -0.159747D+01  0.168815D+01 -0.135231D+01
                26            27            28            29            30 
      1  -0.177638D+00 -0.135231D+01 -0.845962D+00  0.859432D-01  0.422565D+01
      2  -0.239018D+01  0.109100D+01  0.859432D-01  0.295066D+01  0.173531D+01
      3   0.109100D+01  0.700310D+01  0.422565D+01  0.173531D+01  0.222155D+01
                31            32            33            34            35 
      1   0.139359D+01  0.138834D+01  0.194850D+01  0.632090D+01  0.257924D+01
      2   0.138834D+01  0.662578D+00  0.165170D+01  0.257924D+01  0.297296D+01
      3   0.194850D+01  0.165170D+01  0.965026D+00  0.186888D+01  0.369250D+00
                36            37            38            39            40 
      1   0.186888D+01  0.659340D+01  0.215671D+01 -0.156007D+01  0.293064D+01
      2   0.369250D+00  0.215671D+01  0.567241D+00 -0.129332D+01  0.481478D+00
      3   0.138577D-01 -0.156007D+01 -0.129332D+01  0.139920D+01 -0.150065D+01
                41            42            43            44            45 
      1   0.481478D+00 -0.150065D+01 -0.266403D+00 -0.467494D+00 -0.510531D+00
      2   0.113492D+01  0.944612D+00 -0.467494D+00  0.218882D+01  0.339063D+00
      3   0.944612D+00  0.894390D+00 -0.510531D+00  0.339063D+00  0.484648D+01
                46            47            48            49            50 
      1   0.728493D-01  0.392997D+01 -0.276185D+01  0.500005D+01 -0.151009D+01
      2   0.392997D+01 -0.213183D+00  0.483372D+00 -0.151009D+01 -0.590095D+01
      3  -0.276185D+01  0.483372D+00 -0.225859D+01  0.654533D+00 -0.145783D+01
                51            52            53            54            55 
      1   0.654533D+00 -0.487330D+01  0.314380D+00 -0.351216D+01  0.280544D+01
      2  -0.145783D+01  0.314380D+00 -0.158276D+01  0.162562D+01 -0.340852D+01
      3   0.201155D+01 -0.351216D+01  0.162562D+01  0.571979D+01  0.139072D+01
                56            57            58            59            60 
      1  -0.340852D+01  0.139072D+01 -0.132701D+01  0.283806D+01 -0.350210D+00
      2   0.175629D+01 -0.789188D+00  0.283806D+01  0.443862D+01  0.134215D+01
      3  -0.789188D+00  0.247275D+01 -0.350210D+00  0.134215D+01 -0.129405D+01
                61            62            63            64            65 
      1   0.199657D+01 -0.101548D+01  0.312188D+01 -0.707205D+01 -0.288483D+01
      2  -0.101548D+01  0.147745D+01 -0.105826D+01 -0.288483D+01 -0.326181D+01
      3   0.312188D+01 -0.105826D+01 -0.359101D+01 -0.449184D+01 -0.115110D+01
                66            67            68            69            70 
      1  -0.449184D+01 -0.325530D+01 -0.234308D+01 -0.127995D+01 -0.629654D+01
      2  -0.115110D+01 -0.234308D+01 -0.316767D+01 -0.283266D+01 -0.229514D+01
      3  -0.329407D+01 -0.127995D+01 -0.283266D+01 -0.181596D+01 -0.394118D+01
                71            72            73            74            75 
      1  -0.229514D+01 -0.394118D+01  0.584727D+00 -0.542588D+00 -0.820982D+00
      2  -0.446070D+01 -0.203925D+01 -0.542588D+00  0.415305D+00  0.654313D-01
      3  -0.203925D+01 -0.684332D+01 -0.820982D+00  0.654313D-01  0.985673D+00
                76            77            78            79            80 
      1  -0.655442D+00  0.207590D+00  0.664281D-01 -0.136810D+01  0.215554D+00
      2   0.207590D+00  0.498348D+00 -0.952191D+00  0.215554D+00 -0.134973D+01
      3   0.664281D-01 -0.952191D+00 -0.401040D+00  0.443714D+00  0.857680D-02
                81            82            83            84            85 
      1   0.443714D+00 -0.624079D+00  0.877779D+00  0.883369D+00  0.994953D+00
      2   0.857680D-02  0.877779D+00 -0.399175D+00 -0.586772D-01 -0.200569D+00
      3  -0.744857D+01  0.883369D+00 -0.586772D-01 -0.522899D+00 -0.287267D-01
                86            87            88            89            90 
      1  -0.200569D+00 -0.287267D-01  0.148006D+01 -0.118762D+00 -0.406922D+00
      2  -0.246986D+00  0.109455D+01 -0.118762D+00  0.176055D+01  0.887989D+00
      3   0.109455D+01  0.103659D+01 -0.406922D+00  0.887989D+00  0.840904D+01
                91            92            93            94            95 
      1  -0.870486D+01 -0.218884D+01  0.360229D+01 -0.291491D+01 -0.172519D+01
      2  -0.218884D+01 -0.150193D+01  0.928209D+00 -0.172519D+01 -0.107713D+01
      3   0.360229D+01  0.928209D+00 -0.288029D+01  0.133852D+01  0.100783D+01
                96            97            98            99           100 
      1   0.133852D+01  0.119276D+01  0.280019D+00 -0.129458D+01 -0.236129D+01
      2   0.100783D+01  0.280019D+00  0.449745D+00 -0.393032D+00  0.300956D+01
      3  -0.121145D+01 -0.129458D+01 -0.393032D+00  0.183792D+01 -0.125950D+01
               101           102           103           104           105 
      1   0.300956D+01 -0.125950D+01  0.267356D+01 -0.263436D+01  0.107929D+01
      2  -0.371346D+01  0.134742D+01 -0.263436D+01  0.510842D+01 -0.141698D+01
      3   0.134742D+01 -0.128956D+01  0.107929D+01 -0.141698D+01  0.130736D+01
               106           107           108           109           110 
      1  -0.231020D+01  0.191088D+01 -0.153059D+01 -0.188279D+00  0.896234D+00
      2   0.191088D+01 -0.330980D+01  0.195253D+01  0.896234D+00 -0.530128D+00
      3  -0.153059D+01  0.195253D+01 -0.188711D+01  0.355051D+00 -0.579557D+00
               111           112           113           114           115 
      1   0.355051D+00  0.678846D+00 -0.196781D+00 -0.518500D+00  0.146412D+01
      2  -0.579557D+00 -0.196781D+00  0.150833D+01  0.822746D+00 -0.704561D+00
      3  -0.964802D+00 -0.518500D+00  0.822746D+00  0.966933D+00 -0.124782D+01
               116           117           118           119           120 
      1  -0.704561D+00 -0.124782D+01  0.746529D+01 -0.176415D+01  0.250689D+01
      2   0.278401D+01  0.215974D+01 -0.176415D+01  0.125993D+01 -0.580048D+00
      3   0.215974D+01  0.550615D+01  0.250689D+01 -0.580048D+00  0.188315D+01
               121           122           123           124           125 
      1  -0.382680D+01  0.177589D+01 -0.894561D+00  0.454218D+01 -0.721550D+00
      2   0.177589D+01 -0.807009D+00  0.906359D+00 -0.721550D+00  0.115364D+01
      3  -0.894561D+00  0.906359D+00 -0.111684D+01  0.256643D+01 -0.806413D+00
               126           127           128           129           130 
      1   0.256643D+01  0.145364D+01 -0.355353D+00 -0.101814D+01 -0.110940D+01
      2  -0.806413D+00 -0.355353D+00  0.237562D+00  0.312958D-01  0.593016D+00
      3   0.161835D+01 -0.101814D+01  0.312958D-01  0.117531D+01  0.285972D+00
               131           132           133           134           135 
      1   0.593016D+00  0.285972D+00 -0.273782D+01 -0.781680D-01  0.282141D+01
      2   0.116218D+00 -0.817302D+00 -0.781680D-01 -0.128901D+01 -0.376189D+00
      3  -0.817302D+00 -0.106856D+01  0.282141D+01 -0.376189D+00 -0.718300D+01
               136           137           138           139           140 
      1   0.281420D+00  0.111529D+01  0.385617D+00  0.271955D+01  0.198000D+01
      2   0.111529D+01  0.104135D+01  0.580377D-01  0.198000D+01  0.804583D+01
      3   0.385617D+00  0.580377D-01  0.342485D+00  0.501106D-01  0.685982D+00
               141           142           143           144           145 
      1   0.501106D-01  0.831121D+00  0.198077D+00  0.780870D+00  0.449518D+01
      2   0.685982D+00  0.198077D+00  0.961616D+00  0.844512D+00 -0.333072D+01
      3   0.983578D+00  0.780870D+00  0.844512D+00 -0.935807D-01  0.187304D+01
               146           147           148           149           150 
      1  -0.333072D+01  0.187304D+01 -0.232900D+01  0.241409D+01 -0.868383D+00
      2   0.365861D+01 -0.116446D+01  0.241409D+01 -0.339656D+01  0.136875D+01
      3  -0.116446D+01  0.156495D+01 -0.868383D+00  0.136875D+01 -0.116156D+01
               151           152           153           154           155 
      1   0.232800D+01 -0.139588D+01  0.157327D+01 -0.529469D+01 -0.238529D+01
      2  -0.139588D+01  0.243182D+01 -0.178662D+01 -0.238529D+01 -0.337268D+01
      3   0.157327D+01 -0.178662D+01  0.135432D+01  0.141474D+01  0.722369D+00
               156           157           158           159           160 
      1   0.141474D+01 -0.197034D+01 -0.179296D+01  0.519516D+00  0.182715D+01
      2   0.722369D+00 -0.179296D+01 -0.251590D+01  0.846657D+00  0.632967D+00
      3  -0.107970D+01  0.519516D+00  0.846657D+00 -0.908267D+00 -0.884071D+00
               161           162           163           164           165 
      1   0.632967D+00 -0.884071D+00  0.197777D+00 -0.902361D+00 -0.589616D+00
      2   0.154228D+01 -0.124646D+01 -0.902361D+00  0.366660D+00  0.134673D+00
      3  -0.124646D+01  0.583578D+00 -0.589616D+00  0.134673D+00  0.544160D+00
               166           167           168           169           170 
      1  -0.526951D+00  0.200220D+00  0.509616D-01 -0.112321D+01  0.294144D+00
      2   0.200220D+00 -0.106605D+01 -0.111073D+01  0.294144D+00 -0.284344D+01
      3   0.509616D-01 -0.111073D+01 -0.120110D+01  0.686416D+00 -0.257605D+01
               171 
      1   0.686416D+00
      2  -0.257605D+01
      3  -0.665388D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.722741D+01  0.818741D+00 -0.175897D+01  0.533875D+00 -0.562408D+01
      2  -0.400766D+01  0.122630D+01  0.562056D+00  0.616225D+00 -0.116660D+01
      3  -0.101577D+02 -0.149349D+02  0.722023D+01 -0.845867D+01  0.586244D+01
                 6             7             8             9            10 
      1   0.299428D+01 -0.281920D+01  0.103013D+02  0.114113D+02 -0.355789D+00
      2   0.255506D+01 -0.350309D+01  0.386097D+01  0.666270D+01  0.303778D+01
      3   0.850944D+00  0.792520D+01  0.520636D+00 -0.164797D+01  0.836401D+01
                11            12            13            14            15 
      1  -0.547661D-01  0.301525D+00 -0.140342D+01  0.260810D+01 -0.305340D+01
      2  -0.237115D+00  0.506034D+01 -0.133778D+01  0.737364D+00 -0.202327D+01
      3  -0.285805D+01 -0.810225D-01  0.286969D+01 -0.656254D+01 -0.138659D+01
                16            17            18            19            20 
      1   0.822702D+00  0.364556D+01 -0.257796D+01 -0.202950D+01 -0.209616D+01
      2  -0.131254D+01 -0.266163D+01 -0.117123D+02  0.480998D+01  0.226502D-01
      3   0.217141D+01 -0.266422D+01  0.273136D+01 -0.284610D+01 -0.243440D+01
                21            22            23            24            25 
      1   0.312872D+00 -0.171181D+01  0.351297D+01  0.104558D+01  0.130520D+01
      2  -0.908037D+00  0.280239D+01 -0.690307D-01 -0.811257D+00 -0.749707D+01
      3   0.168563D+00 -0.173839D+01 -0.593800D+01  0.246045D+01 -0.344580D+01
                26            27            28            29            30 
      1   0.538710D+01 -0.333214D+01 -0.191538D+01 -0.426002D+01  0.387014D+01
      2  -0.239584D+00 -0.556500D+00 -0.521349D+01 -0.939192D+00 -0.520323D+00
      3   0.213826D+01 -0.994810D+00 -0.884444D+01  0.545366D+01  0.633648D+00
                31            32            33            34            35 
      1   0.195508D+01 -0.162941D+01 -0.990266D+01  0.935559D+00 -0.642602D+01
      2   0.260153D+01 -0.242928D+01 -0.665582D+01  0.103969D+01 -0.228775D+01
      3   0.227116D+02  0.163786D+02 -0.945348D+00 -0.166818D+01 -0.333118D+01
                36            37            38            39            40 
      1   0.415510D+01  0.105203D+01 -0.876783D+00  0.528090D+00 -0.150137D+00
      2  -0.283695D+01 -0.172792D+01  0.879927D+00 -0.765981D+00 -0.452664D-01
      3   0.527040D+00  0.343276D+01 -0.783387D+00 -0.134008D+01 -0.300977D+00
                41            42            43            44            45 
      1   0.661886D+00 -0.824360D-01 -0.956600D-01  0.546241D+01  0.243544D+00
      2  -0.343566D+01 -0.105690D+01 -0.777563D+01 -0.194157D+01 -0.795696D+01
      3   0.655130D-01  0.321809D+01  0.496714D+00  0.393835D+01  0.885927D+00
                46            47            48            49            50 
      1   0.114014D+01  0.454973D+00  0.590103D+00  0.164557D+01  0.222514D+01
      2  -0.985664D+01  0.156800D+01 -0.571691D+01  0.297409D+01 -0.435604D+01
      3  -0.102443D+02  0.985939D+00 -0.233959D+01  0.104881D+02  0.190271D+02
                51            52            53            54            55 
      1  -0.240826D+01  0.151040D+01  0.122320D+01 -0.286248D+01 -0.135957D+01
      2   0.512540D+01 -0.145582D+02  0.412606D+01  0.160926D+02  0.106587D+01
      3   0.385983D+01 -0.416300D+01  0.486775D+01 -0.653123D+01  0.825833D+01
                56            57            58            59            60 
      1   0.415650D+01 -0.802934D+01  0.327397D+01 -0.448592D+01 -0.256461D+01
      2   0.224786D+01  0.472531D+01 -0.296961D+00  0.376194D+00  0.211066D+01
      3  -0.144993D+02  0.166534D+01  0.199408D+01  0.667065D+01 -0.354540D+01
                61            62            63            64            65 
      1  -0.800893D+01  0.840542D+01  0.871968D+01  0.266554D+01  0.735135D+01
      2  -0.144732D+01  0.466953D+00 -0.119701D+01  0.952820D-01  0.805299D-01
      3   0.450200D+01 -0.281369D+01  0.773945D+01  0.294190D+01 -0.730880D+01
                66            67            68            69            70 
      1  -0.306725D+01 -0.749066D-01  0.324838D+01 -0.112551D+01  0.116016D+01
      2   0.933349D+01 -0.346546D+01  0.443981D+01  0.545244D+01 -0.255188D+01
      3  -0.347506D+00 -0.394783D+01 -0.917786D+01 -0.259931D+01  0.486936D+00
                71            72            73            74            75 
      1   0.936624D+01 -0.197519D+01  0.911987D+00 -0.372001D+00 -0.463451D+00
      2   0.288491D+01  0.113094D+02  0.549802D+00 -0.679407D+00  0.111410D+01
      3  -0.181768D+01 -0.188830D+01  0.644084D+00 -0.684891D+00 -0.534559D+00
                76            77            78            79            80 
      1   0.392593D-01  0.221397D+00 -0.446441D+00 -0.651811D+00  0.350325D+01
      2  -0.885414D+00  0.321227D+00 -0.610474D-01 -0.390996D+01  0.332251D+00
      3   0.135072D+01 -0.834720D-01 -0.159459D+00 -0.347371D+00  0.142902D+00
                81            82            83            84            85 
      1   0.352834D+01  0.102598D+01 -0.647671D+00 -0.108953D+00 -0.163412D+00
      2   0.997294D+00  0.208670D+01 -0.617305D+00 -0.343781D+00 -0.114595D+01
      3  -0.184990D+00 -0.947991D+00 -0.810194D+00 -0.248248D+00  0.130183D+01
                86            87            88            89            90 
      1   0.585499D+00 -0.496160D+00 -0.677142D+00  0.419576D+01  0.229387D+01
      2   0.176330D+01  0.123868D+01 -0.497279D+01  0.155760D+01  0.105543D+02
      3   0.163716D+00 -0.112082D+01 -0.199774D+00 -0.171352D+01 -0.674805D+00
                91            92            93            94            95 
      1  -0.543942D+00 -0.165831D+01 -0.996632D+00 -0.105221D+01 -0.151366D+01
      2   0.114405D+01 -0.109103D+00  0.492092D+01  0.242203D+00 -0.458464D+00
      3  -0.130223D+01 -0.416559D+01  0.633971D+00 -0.175575D+01 -0.296744D+01
                96            97            98            99           100 
      1  -0.440653D+00  0.749029D+00  0.939436D+00 -0.313732D+00  0.273379D+01
      2   0.227961D+01 -0.533029D+00  0.133448D-01 -0.119305D+01 -0.169849D+01
      3   0.116870D+01  0.643279D+00  0.104733D+01 -0.500573D+00 -0.736862D+01
               101           102           103           104           105 
      1  -0.285452D+01  0.436864D+01 -0.286940D+01  0.220365D+01 -0.373412D+01
      2  -0.277415D+00  0.873347D+00  0.282295D+00  0.174792D+00 -0.920489D+00
      3   0.499963D+01 -0.316554D+01  0.857993D+01 -0.582821D+01  0.320480D+01
               106           107           108           109           110 
      1   0.372595D+01 -0.254730D+01  0.389533D+01 -0.137673D+01  0.863065D+00
      2  -0.130762D+01 -0.409623D+00  0.614348D+00  0.872998D+00  0.374113D-01
      3  -0.685431D+01  0.428516D+01 -0.428932D+01 -0.889244D+00  0.759846D+00
               111           112           113           114           115 
      1   0.354349D+01  0.106259D+01 -0.276941D+01 -0.281527D+01  0.362034D+01
      2  -0.236698D+00  0.145004D+00 -0.441489D-01 -0.858080D-01 -0.292945D+01
      3   0.769329D+00  0.175516D+01 -0.110791D+01 -0.136435D+01  0.410891D+01
               116           117           118           119           120 
      1  -0.361735D+01 -0.143889D+02 -0.575667D+00  0.701584D+00  0.107572D-01
      2   0.293508D+00  0.661016D+00  0.657248D+01 -0.207555D+01  0.814397D+01
      3  -0.166618D+01 -0.392565D+01  0.711247D+01 -0.685477D+01  0.302792D+01
               121           122           123           124           125 
      1  -0.144247D+00 -0.789796D+00 -0.575434D+00 -0.312321D+00  0.173333D+01
      2  -0.243901D+01  0.255619D+01 -0.440747D+01  0.582252D+01 -0.264583D+01
      3  -0.470521D+01  0.403350D+01 -0.271232D+01  0.354273D+01 -0.477759D+01
               126           127           128           129           130 
      1   0.503166D-02  0.613159D+00 -0.354007D+00 -0.779789D+00  0.683101D-01
      2   0.533734D+01 -0.262715D+01 -0.103393D-01  0.471019D+01  0.164317D+00
      3   0.333286D+01  0.150773D+01 -0.180621D+01 -0.669742D+00 -0.840184D+00
               131           132           133           134           135 
      1   0.699097D+00 -0.297397D+00 -0.982349D+00  0.347103D+01  0.311754D+01
      2  -0.206825D+01 -0.299435D+01  0.410414D+01 -0.139901D+01 -0.208694D+02
      3  -0.284137D-01  0.179537D+01 -0.582162D+00  0.441513D+01  0.273435D+01
               136           137           138           139           140 
      1  -0.200417D+00 -0.356891D+00 -0.598801D+00 -0.201629D+00 -0.933552D+00
      2   0.130384D+01 -0.956329D-01  0.123904D+01 -0.240363D+00  0.226610D+01
      3  -0.355672D+01 -0.183327D+01  0.506905D-01  0.108752D+01 -0.242310D+02
               141           142           143           144           145 
      1  -0.295636D+01 -0.738295D+00  0.397042D+00  0.117855D-01  0.360933D+01
      2   0.357253D+01  0.475140D+00  0.216521D+01 -0.460198D+00  0.113496D+01
      3  -0.208384D+01  0.404659D+00 -0.274820D+01 -0.137868D+01 -0.645597D+01
               146           147           148           149           150 
      1  -0.127733D+01  0.458196D+01 -0.175181D+01  0.214157D+01 -0.370952D+01
      2  -0.126618D+01  0.363102D+01 -0.439521D+00  0.144743D+01 -0.220354D+01
      3  -0.393802D+00 -0.262630D+01  0.466105D+01 -0.515348D+00  0.495885D+00
               151           152           153           154           155 
      1   0.308004D+01 -0.165822D+01  0.279849D+01  0.294791D+01  0.458501D+00
      2   0.341967D+00 -0.208950D+01  0.197020D+01  0.304026D+01  0.685871D+00
      3  -0.438652D+01 -0.837822D+00 -0.919869D+00  0.174991D+02  0.586569D+01
               156           157           158           159           160 
      1  -0.341040D+01  0.700113D+00  0.111311D+01 -0.277934D+01 -0.219847D+01
      2   0.460335D+00  0.758800D+00  0.105269D+01  0.766828D-01 -0.259694D+01
      3  -0.412611D+01  0.826600D+01  0.536434D+01 -0.207625D+01 -0.533763D+01
               161           162           163           164           165 
      1  -0.924380D+00  0.102355D+01 -0.111545D+01  0.373851D-02  0.110600D+01
      2  -0.101287D+01  0.230647D+00 -0.561418D+00  0.165206D+00  0.119379D+01
      3  -0.208785D+01  0.308926D+01  0.109040D+01  0.408974D+00  0.702293D+00
               166           167           168           169           170 
      1   0.222990D+00 -0.208150D+01 -0.412847D+01  0.133732D+01 -0.196385D+01
      2  -0.291129D+00 -0.110762D+01 -0.119109D+01 -0.222896D+01 -0.277583D+01
      3   0.202229D+01  0.636618D+00  0.960611D+00  0.270292D+01  0.310241D+01
               171 
      1  -0.151464D+02
      2  -0.766863D+01
      3   0.189595D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.111367D+02  0.133286D+02 -0.820607D+01  0.902192D+01 -0.120274D+02
      2  -0.183546D+02 -0.587960D+01  0.349549D+01 -0.287182D+01  0.164191D+02
      3   0.721794D+01 -0.744902D+01  0.471059D+01 -0.615011D+01 -0.439169D+01
      4   0.877986D+01 -0.208938D+02  0.137089D+02 -0.187397D+02 -0.277455D+01
      5  -0.772314D+01  0.653500D+01 -0.497363D+01  0.444297D+01 -0.377119D+01
      6   0.168392D+02 -0.177862D+01  0.424638D+01 -0.199641D+01  0.873140D+01
                 6             7             8             9            10 
      1  -0.942132D+00 -0.886820D+01 -0.269370D-01  0.508692D+01 -0.142190D+02
      2   0.578791D+01  0.219161D+01  0.690265D+01 -0.539640D+01  0.105931D+02
      3  -0.484578D+01  0.667659D+01 -0.687571D+01  0.309478D+00  0.362591D+01
      4  -0.432887D+01  0.129430D+02 -0.665380D+01  0.107053D+02 -0.140714D+02
      5   0.564934D+01 -0.658785D+01  0.839648D+01  0.130350D+02  0.615735D+01
      6  -0.929402D+01  0.543915D+01 -0.142505D+02 -0.202846D+02 -0.282583D+01
                11            12            13            14            15 
      1  -0.150402D+02  0.418150D+01 -0.186890D+02  0.116207D+02  0.203697D+01
      2   0.824691D+01 -0.461200D+01  0.112879D+02 -0.132918D+02 -0.188392D+00
      3   0.679328D+01  0.430494D+00  0.740107D+01  0.167117D+01 -0.184857D+01
      4   0.562390D+01 -0.131693D+01  0.654097D+01  0.928121D+01  0.181384D+01
      5  -0.299321D+00  0.301417D+01 -0.590294D+00  0.189568D+01 -0.495415D+01
      6   0.371693D+00 -0.139659D+01  0.950606D+00 -0.279651D+01 -0.542993D-01
                16            17            18            19            20 
      1   0.105590D+02  0.261689D+01  0.101260D+02 -0.173628D+02 -0.689887D+01
      2  -0.550105D+01 -0.243667D-01  0.519064D+01  0.171528D+02  0.104560D+02
      3  -0.505794D+01 -0.259252D+01 -0.153166D+02  0.210022D+00 -0.355712D+01
      4  -0.168545D+01  0.204628D+01 -0.494598D+01  0.411818D+00  0.271101D+01
      5   0.103903D+02 -0.422379D+01 -0.212566D+02  0.964791D+01  0.224208D+01
      6  -0.833206D+00  0.616103D+01  0.385105D+00  0.253010D+01 -0.773471D-01
                21            22            23            24            25 
      1   0.445205D+01  0.759736D+01  0.126952D+02  0.735905D+01 -0.395655D+01
      2  -0.412607D+01 -0.767422D+01 -0.235168D+02 -0.452428D+01 -0.112775D+01
      3  -0.325982D+00  0.768601D-01  0.108217D+02 -0.283477D+01  0.508430D+01
      4   0.354357D+01 -0.123277D+02 -0.112974D+01  0.288419D+01  0.174603D+01
      5  -0.211055D+01  0.638568D+01  0.587474D+01 -0.139621D+01  0.427984D+00
      6  -0.123286D+00  0.294889D+01 -0.719281D+00 -0.330990D+01  0.450990D-01
                26            27            28            29            30 
      1   0.517252D+01  0.606117D+01 -0.433532D+01 -0.114339D+01 -0.998810D+01
      2  -0.629838D+01  0.886873D+01  0.789493D+01  0.268296D+01  0.804512D+01
      3   0.112586D+01 -0.149299D+02 -0.355961D+01 -0.153956D+01  0.194298D+01
      4  -0.376036D+01  0.341150D+00 -0.357438D+01 -0.515877D+01 -0.800765D+01
      5   0.798274D+00  0.278526D+01 -0.226254D+02 -0.960684D+01 -0.176056D+02
      6   0.254523D+01  0.696976D+01 -0.621474D+01 -0.437440D+01 -0.529220D+01
                31            32            33            34            35 
      1  -0.454512D+01 -0.536408D+01 -0.508293D+01 -0.264979D+02 -0.113009D+02
      2   0.240201D+01  0.867381D+01  0.662049D+01  0.127449D+02  0.271835D+01
      3   0.214311D+01 -0.330973D+01 -0.153757D+01  0.137531D+02  0.858255D+01
      4   0.464452D+01 -0.887995D+01 -0.288486D+01 -0.157811D+02 -0.705489D+01
      5  -0.131167D+02 -0.684711D+01 -0.102120D+02 -0.170062D+02 -0.174772D+01
      6  -0.201972D+01 -0.575690D+01  0.818496D+00  0.201362D+00 -0.811781D+01
                36            37            38            39            40 
      1  -0.122863D+01 -0.218895D+02 -0.857196D+01  0.706795D+01 -0.131503D+02
      2   0.665902D+01  0.100110D+02  0.358120D+01 -0.274558D+01  0.812385D+01
      3  -0.543039D+01  0.118785D+02  0.499077D+01 -0.432237D+01  0.502644D+01
      4  -0.164743D+01 -0.135561D+02 -0.117386D+01  0.710516D+01 -0.109783D+01
      5  -0.523994D+01  0.146580D+02  0.948461D+01 -0.789544D+00  0.105775D+02
      6  -0.315322D+01  0.670839D+01  0.147659D+01 -0.263008D+01  0.217127D+01
                41            42            43            44            45 
      1  -0.603515D+01  0.600138D+01  0.534773D+01  0.122066D+01 -0.138620D+02
      2   0.485092D+01 -0.508199D+01  0.275881D+01  0.347552D+01 -0.106954D+02
      3   0.118422D+01 -0.919386D+00 -0.810654D+01 -0.469618D+01  0.245574D+02
      4  -0.347497D+01 -0.412097D+01  0.672662D+01 -0.263067D+01 -0.472044D+01
      5  -0.282072D+01 -0.461375D+01  0.827361D+01 -0.388747D+01 -0.200987D+02
      6   0.154161D+01  0.553732D+01 -0.345782D+01  0.791225D+01 -0.122573D+01
                46            47            48            49            50 
      1   0.792842D-01  0.236880D+02 -0.185284D+02  0.281341D+02 -0.486435D+01
      2   0.483808D+00 -0.144211D+02  0.890808D+01 -0.183914D+02 -0.329565D+01
      3  -0.563092D+00 -0.926694D+01  0.962036D+01 -0.974269D+01  0.816000D+01
      4   0.241620D+02 -0.236000D+01  0.256089D+01 -0.803096D+01 -0.272697D+02
      5  -0.212856D+02  0.331541D+01 -0.135783D+02  0.480517D+01 -0.966973D+01
      6  -0.882632D-01 -0.318949D+00  0.311257D+00 -0.172412D+01 -0.259009D+01
                51            52            53            54            55 
      1   0.630900D+01 -0.252085D+02  0.362887D+01 -0.134587D+02  0.196536D+02
      2  -0.335425D+01  0.102370D+02 -0.172081D+01  0.155791D+02 -0.189244D+02
      3  -0.295475D+01  0.149715D+02 -0.190806D+01 -0.212041D+01 -0.729193D+00
      4  -0.750551D+01  0.395241D+01 -0.608697D+01  0.862301D+01  0.872631D+01
      5   0.113654D+02 -0.227098D+02  0.942144D+01  0.304991D+02 -0.292099D+01
      6   0.115446D+01  0.331369D+00 -0.124956D+01  0.165615D+01  0.595225D+01
                56            57            58            59            60 
      1  -0.155959D+01 -0.219874D+00 -0.661317D+01 -0.192883D+02 -0.510160D+01
      2   0.417270D+01 -0.259090D+01  0.138729D+02  0.326696D+02  0.607152D+01
      3  -0.261311D+01  0.281077D+01 -0.725969D+01 -0.133813D+02 -0.969918D+00
      4  -0.798686D+01  0.428343D+01  0.124671D+01  0.141054D+02 -0.503778D+01
      5   0.290901D+01  0.928062D+00 -0.841988D+00 -0.428451D+01  0.300208D+01
      6  -0.507566D+01  0.123206D+02 -0.607736D+01  0.655908D+01  0.110523D+01
                61            62            63            64            65 
      1   0.256239D+01 -0.100738D+01  0.240115D+01  0.390120D+02  0.101227D+02
      2  -0.307719D+01  0.629134D+01 -0.195403D+01 -0.264478D+02 -0.630220D+01
      3   0.514805D+00 -0.528395D+01 -0.447117D+00 -0.125642D+02 -0.382050D+01
      4   0.543306D+01 -0.341130D+01  0.112512D+02  0.135178D+02  0.152373D+02
      5   0.163072D+01  0.416986D+01  0.668108D+00  0.299310D+02  0.738100D+01
      6   0.151301D+02 -0.206397D+01 -0.142006D+02  0.569079D+01  0.688068D+01
                66            67            68            69            70 
      1   0.135741D+02  0.506098D+01  0.782613D+00 -0.371723D+00  0.205603D+02
      2  -0.128080D+02 -0.609952D+00  0.516277D+01 -0.318445D+00 -0.190613D+02
      3  -0.766133D+00 -0.445103D+01 -0.594538D+01  0.690168D+00 -0.149898D+01
      4   0.706576D+01  0.166415D+02  0.176984D+02  0.113489D+02  0.995129D+01
      5   0.275246D+02  0.929766D+01  0.132465D+02  0.110182D+02  0.291056D+02
      6   0.510602D+01  0.496733D+01  0.925621D+01  0.114020D+02  0.563520D+01
                71            72            73            74            75 
      1   0.543895D+01  0.132911D+01  0.113542D+01 -0.667055D-01 -0.362123D+00
      2  -0.646485D+01 -0.152654D+02 -0.417050D+01  0.169413D-01  0.159558D+01
      3   0.102589D+01  0.139363D+02  0.303508D+01  0.497643D-01 -0.123346D+01
      4   0.114273D+02  0.756265D+01  0.636230D+00  0.160398D+01 -0.139316D+01
      5   0.999466D+01  0.348236D+02 -0.267062D+01 -0.482082D+00  0.672875D+01
      6   0.123907D+02  0.915927D+01 -0.132263D+01 -0.693817D+00  0.960174D+00
                76            77            78            79            80 
      1   0.227078D+00 -0.434534D+01 -0.801296D+00  0.463552D+00  0.141506D+01
      2   0.857637D-01  0.177378D+01 -0.133025D+01  0.214044D+01 -0.201227D+01
      3  -0.312841D+00  0.257157D+01  0.213154D+01 -0.260399D+01  0.597200D+00
      4   0.213494D+01 -0.450687D+00 -0.679368D+00 -0.608512D+00  0.225764D+00
      5  -0.155784D+00 -0.105582D+01 -0.696002D+00  0.415797D+01  0.315128D+00
      6  -0.618181D+00 -0.448738D-01  0.597199D+01  0.890864D-01  0.369890D+01
                81            82            83            84            85 
      1  -0.155146D+02  0.197018D+01  0.236759D+01  0.256154D+01  0.297180D+01
      2  -0.143785D+02 -0.439392D+01 -0.900019D+00  0.297288D+00 -0.177091D+01
      3   0.298931D+02  0.242373D+01 -0.146757D+01 -0.285883D+01 -0.120089D+01
      4   0.769158D+00  0.234095D+01  0.797547D+00  0.166817D+00  0.139391D+01
      5  -0.293016D+01  0.504910D+00  0.186250D+00  0.515828D+01 -0.429028D-01
      6  -0.752557D+01  0.973142D-01 -0.430607D+00 -0.407934D+00 -0.274463D+00
                86            87            88            89            90 
      1  -0.489512D+01 -0.163407D+01  0.460185D+01 -0.627342D+00 -0.168463D+02
      2   0.171351D+01 -0.101063D+01 -0.171024D+01 -0.257857D+01 -0.149730D+02
      3   0.318162D+01  0.264470D+01 -0.289162D+01  0.320591D+01  0.318193D+02
      4  -0.521419D+00  0.200280D+01  0.483015D+00  0.316894D+01  0.251718D+01
      5   0.225200D+01  0.219908D+01  0.250819D+01  0.186726D+01  0.180620D+02
      6   0.210712D+01  0.714544D+01  0.121728D+00  0.358052D+01  0.194922D+00
                91            92            93            94            95 
      1   0.411001D+02  0.927476D+01 -0.142596D+02  0.105409D+02  0.516449D+01
      2  -0.240204D+02 -0.483205D+01  0.105119D+02 -0.475881D+01 -0.112417D+01
      3  -0.170797D+02 -0.444271D+01  0.374772D+01 -0.578212D+01 -0.404032D+01
      4   0.124792D+02  0.831015D+01 -0.519944D+01  0.117536D+02  0.659089D+01
      5  -0.274512D+02 -0.708413D+01  0.174906D+02 -0.971658D+01 -0.634099D+01
      6  -0.608508D+01 -0.367644D+01  0.340925D+01 -0.473603D+01 -0.319984D+01
                96            97            98            99           100 
      1  -0.425341D+01 -0.182165D+01 -0.210674D-01  0.298699D+01 -0.261817D+01
      2   0.300100D+01  0.439801D+01  0.991997D+00 -0.505957D+01  0.906944D+01
      3   0.125241D+01 -0.257635D+01 -0.970930D+00  0.207258D+01 -0.645127D+01
      4  -0.521278D+01 -0.120088D+01 -0.124421D+01  0.188155D+01 -0.120537D+02
      5   0.667402D+01  0.928887D+01  0.247403D+01 -0.961146D+01  0.379108D+01
      6   0.380884D+01  0.167183D+01  0.173522D+01 -0.209027D+01 -0.726476D+01
               101           102           103           104           105 
      1   0.736637D+01 -0.224479D+01  0.463605D+01 -0.120725D+02  0.350748D+01
      2  -0.150564D+02  0.450543D+01 -0.106692D+02  0.221816D+02 -0.632583D+01
      3   0.769001D+01 -0.226064D+01  0.603310D+01 -0.101092D+02  0.281835D+01
      4   0.174586D+02 -0.659609D+01  0.149844D+02 -0.144706D+02  0.599287D+01
      5  -0.360584D+01  0.410160D+01 -0.173844D+01  0.336050D+01 -0.207570D+01
      6   0.923711D+01 -0.798511D+01  0.725235D+01 -0.943822D+01  0.815846D+01
               106           107           108           109           110 
      1  -0.399751D+01  0.708937D+01 -0.587096D+01 -0.213914D+01  0.153622D+01
      2   0.554844D+01 -0.995788D+01  0.493732D+01  0.275608D+01 -0.192010D+01
      3  -0.155094D+01  0.286851D+01  0.933632D+00 -0.616942D+00  0.383877D+00
      4  -0.958144D+01  0.921648D+01 -0.743782D+01 -0.113884D+01  0.504873D+01
      5   0.423705D+01 -0.373599D+01  0.380649D+01 -0.124257D+01  0.704309D+00
      6  -0.855690D+01  0.121284D+02 -0.991911D+01  0.107663D+01 -0.365635D+01
               111           112           113           114           115 
      1   0.214223D+01  0.378239D+00 -0.494068D+01 -0.226168D+01  0.149521D+01
      2  -0.177147D+01 -0.739436D+00  0.681124D+01  0.334305D+01 -0.148648D+01
      3  -0.370765D+00  0.361197D+00 -0.187056D+01 -0.108137D+01 -0.872940D-02
      4   0.166511D+01  0.419720D+01 -0.175463D+01 -0.280870D+01  0.550400D+01
      5   0.257526D+01  0.307806D+00 -0.152003D+01 -0.100746D+01  0.225291D+01
      6  -0.530095D+01 -0.322005D+01  0.377706D+01  0.713654D+01 -0.618782D+01
               116           117           118           119           120 
      1  -0.824366D+01 -0.993976D+01  0.545488D+02 -0.115241D+02  0.166392D+02
      2   0.891340D+01  0.222764D+01 -0.299144D+02  0.595187D+01 -0.987932D+01
      3  -0.669738D+00  0.771211D+01 -0.246344D+02  0.557222D+01 -0.675989D+01
      4  -0.418394D+01 -0.494314D+01 -0.114290D+02  0.104976D+02 -0.388284D+01
      5  -0.211437D+01 -0.381470D+01  0.196972D+02 -0.463889D+01  0.159372D+02
      6   0.113695D+02  0.248634D+02 -0.329479D+00  0.514903D+00  0.194855D+00
               121           122           123           124           125 
      1  -0.227512D+02  0.807786D+01 -0.530881D+01  0.260214D+02 -0.385989D+01
      2   0.123039D+02 -0.198386D+01  0.316621D+01 -0.159598D+02  0.249865D+01
      3   0.104473D+02 -0.609401D+01  0.214260D+01 -0.100617D+02  0.136125D+01
      4   0.133895D+02 -0.737000D+01  0.584799D+01 -0.517458D+01  0.751758D+01
      5  -0.754171D+01  0.599016D+01 -0.813267D+01  0.202495D+02 -0.570047D+01
      6   0.153443D+01 -0.150796D+01  0.187564D+01 -0.770516D+00  0.224130D+01
               126           127           128           129           130 
      1   0.122913D+02  0.908276D+01 -0.251220D+01 -0.571857D+01 -0.609569D+01
      2  -0.111394D+02 -0.753422D+01  0.174430D+01  0.478225D+01  0.406199D+01
      3  -0.115184D+01 -0.154855D+01  0.767900D+00  0.936322D+00  0.203370D+01
      4  -0.497122D+01 -0.203824D+01  0.258751D+01  0.572116D-01  0.447058D+01
      5   0.131285D+02 -0.703358D+01  0.535343D+00  0.124647D+02  0.227218D+01
      6  -0.129538D+01  0.131101D+00 -0.393111D-01  0.809512D+00 -0.161923D+01
               131           132           133           134           135 
      1   0.479664D+00 -0.760846D-01 -0.128097D+02 -0.857300D+00  0.361078D+01
      2  -0.368395D+00 -0.129362D+01  0.118373D+02 -0.240223D+00 -0.179920D+02
      3  -0.111269D+00  0.136970D+01  0.972391D+00  0.109752D+01  0.143813D+02
      4   0.370795D+00 -0.471734D+01 -0.743859D+00 -0.737344D+01 -0.284538D+01
      5  -0.423967D+01 -0.591522D+01  0.212462D+02 -0.269142D+01 -0.420374D+02
      6   0.141749D+01  0.408025D+01  0.271655D+00  0.439040D+01 -0.195929D+01
               136           137           138           139           140 
      1   0.208051D+01  0.343459D+01  0.239733D+01  0.122566D+02 -0.384079D+00
      2   0.197271D+01  0.117844D+01 -0.113714D+01 -0.344820D+01  0.151504D+02
      3  -0.405321D+01 -0.461303D+01 -0.126020D+01 -0.880841D+01 -0.147663D+02
      4   0.499446D+01  0.106132D+02  0.576910D+00  0.162877D+02  0.413283D+02
      5   0.231087D+01  0.159254D+00  0.271703D+01  0.264369D+00  0.491909D+01
      6   0.257494D+00 -0.153407D+00  0.707795D+00  0.916942D+00  0.212890D+01
               141           142           143           144           145 
      1  -0.898721D+00  0.441587D+01 -0.755153D+00  0.103820D+01  0.133148D+02
      2   0.155191D+01 -0.196919D+01  0.108893D+01 -0.103842D+01  0.129977D+01
      3  -0.653192D+00 -0.244668D+01 -0.333780D+00  0.212340D-03 -0.146146D+02
      4   0.391350D+01  0.131865D+01  0.446864D+01  0.393280D+01 -0.270523D+02
      5   0.638768D+01  0.558593D+01  0.454246D+01 -0.734513D+00  0.939600D+01
      6   0.447855D+01  0.127080D+01  0.552238D+01  0.158499D+01 -0.965998D+01
               146           147           148           149           150 
      1  -0.301848D+01  0.334710D+01 -0.196618D+01 -0.314174D+01  0.156275D+01
      2  -0.928756D+01  0.711026D-01 -0.724417D+01  0.151740D+02 -0.500599D+01
      3   0.123060D+02 -0.341820D+01  0.921035D+01 -0.120322D+02  0.344324D+01
      4   0.248284D+02 -0.105458D+02  0.190344D+02 -0.201739D+02  0.762231D+01
      5  -0.621994D+01  0.847101D+01 -0.402487D+01  0.587177D+01 -0.447189D+01
      6   0.752850D+01 -0.894092D+01  0.587791D+01 -0.900815D+01  0.823991D+01
               151           152           153           154           155 
      1   0.428961D+01  0.258807D+01 -0.929981D+00 -0.894111D+01 -0.142757D+02
      2  -0.480699D+00 -0.722506D+01  0.106666D+01  0.109301D+02  0.179864D+02
      3  -0.380891D+01  0.463699D+01 -0.136682D+00 -0.198896D+01 -0.371075D+01
      4  -0.125155D+02  0.116839D+02 -0.101279D+02  0.151554D+02  0.823734D+01
      5   0.884597D+01 -0.712619D+01  0.721241D+01 -0.979908D+00 -0.141534D+01
      6  -0.821956D+01  0.108845D+02 -0.776495D+01 -0.743168D+01 -0.514872D+01
               156           157           158           159           160 
      1   0.474988D+01 -0.884860D+01 -0.111135D+02  0.353765D+01  0.493717D+01
      2  -0.362822D+01  0.112594D+02  0.164337D+02 -0.452081D+01 -0.281005D+01
      3  -0.112165D+01 -0.241084D+01 -0.532026D+01  0.983164D+00 -0.212712D+01
      4  -0.498102D+01  0.989969D+01  0.547049D+01 -0.156218D+01 -0.577831D+01
      5   0.172551D+01 -0.469632D+00 -0.261979D+00 -0.196944D+00  0.284235D+01
      6   0.625944D+01 -0.362900D+01 -0.537515D+01  0.590003D+01  0.461184D+01
               161           162           163           164           165 
      1   0.577732D+01 -0.569048D+01 -0.702819D+00 -0.180807D+01 -0.152903D+01
      2  -0.687242D+01  0.347063D+01  0.114343D+01  0.231426D+00  0.105830D+01
      3   0.109509D+01  0.221984D+01 -0.440616D+00  0.157665D+01  0.470738D+00
      4  -0.491628D+00  0.155241D+01 -0.276533D+01  0.580396D+01  0.240243D+01
      5  -0.688248D+00 -0.192490D+01 -0.211892D+01  0.111340D+01  0.517137D+01
      6   0.772501D+01 -0.355405D+01  0.193919D+01 -0.585852D+00 -0.224821D+01
               166           167           168           169           170 
      1  -0.515616D+00 -0.487213D+01 -0.439068D+01 -0.212231D+01 -0.905693D+01
      2  -0.520101D+00  0.561401D+01  0.503011D+01  0.129919D+01  0.970513D+01
      3   0.103572D+01 -0.741888D+00 -0.639432D+00  0.823114D+00 -0.648202D+00
      4   0.425620D+01 -0.305058D+01 -0.252582D+01  0.501157D+01 -0.686361D+01
      5  -0.114509D+00 -0.259871D+01 -0.262377D+01  0.594046D+01 -0.653920D+01
      6  -0.662925D+00  0.613138D+01  0.107955D+02 -0.326870D+01  0.151823D+02
               171 
      1  -0.115572D+02
      2  -0.745397D-01
      3   0.116317D+02
      4  -0.749710D+01
      5  -0.163297D+02
      6   0.293724D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x         -0.368312D-01     -0.936155D-01     -0.312268D+00
   y          0.177371D+00      0.450833D+00      0.150382D+01
   z          0.626202D+00      0.159165D+01      0.530916D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822268D+02      0.121848D+02      0.135574D+02
   yx         0.249082D+01      0.369102D+00      0.410681D+00
   yy         0.741808D+02      0.109925D+02      0.122308D+02
   zx         0.335195D+00      0.496708D-01      0.552662D-01
   zy         0.107135D+01      0.158758D+00      0.176643D+00
   zz         0.688386D+02      0.102008D+02      0.113500D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.824720D+02      0.122211D+02      0.135978D+02
   aniso      0.151098D+02      0.223904D+01      0.249127D+01
   xx         0.906796D+02      0.134373D+02      0.149510D+02
   yx         0.352472D+01      0.522310D+00      0.581148D+00
   yy         0.817859D+02      0.121194D+02      0.134847D+02
   zx         0.422197D-01      0.625631D-02      0.696108D-02
   zy         0.121328D+01      0.179790D+00      0.200043D+00
   zz         0.749504D+02      0.111065D+02      0.123577D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.99249768         -3.18249876         -0.90290510
     6          2.19035984         -0.57923332          0.33502886
     6         -0.00297730          1.15458809         -0.47444508
     6         -2.54686049         -0.15953132         -0.20984605
     8         -3.08485596         -0.72810269          2.23433408
     6          4.72544855          0.66250633         -0.26853606
     7          0.07337461          3.54723126          0.90648257
     8         -3.98833187         -0.62544017         -1.90605006
     1          0.19208718          1.57229809         -2.48495053
     1          2.04251315         -0.82123374          2.38570254
     1         -4.74195086         -1.51021113          2.24867232
     1         -1.22090478          4.77874195          0.21945608
     1         -0.32365726          3.26132185          2.75883173
     1          6.27998206         -0.48838600          0.44798414
     1          4.97063072          0.84937966         -2.31194813
     1          4.85303910          2.53884446          0.56403237
     1          3.58435338         -4.36532922         -0.33999176
     1          0.26222133         -4.17119614         -0.37366216
     1          2.02275779         -3.02151071         -2.96153797

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.651879D+00      0.165691D+01      0.552686D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822613D+02      0.121899D+02      0.135631D+02
   yx         0.250318D+01      0.370933D+00      0.412719D+00
   yy         0.732610D+02      0.108562D+02      0.120791D+02
   zx         0.276661D+00      0.409969D-01      0.456152D-01
   zy         0.218132D+01      0.323238D+00      0.359650D+00
   zz         0.697239D+02      0.103320D+02      0.114959D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.824720D+02      0.122211D+02      0.135978D+02
   aniso      0.151098D+02      0.223904D+01      0.249127D+01
   xx         0.906899D+02      0.134389D+02      0.149527D+02
   yx         0.361295D+01      0.535384D+00      0.595695D+00
   yy         0.806980D+02      0.119582D+02      0.133053D+02
   zx         0.151407D+00      0.224362D-01      0.249637D-01
   zy         0.263119D+01      0.389901D+00      0.433824D+00
   zz         0.760280D+02      0.112662D+02      0.125353D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F07-30\Freq\RB3LYP\Gen\C5H11N1O2\PIERPA\26-Sep-2021\0\\#P
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 TIMES HAVE CHANGED. IN THE BIBLE WHEN AN ASS
 SPOKE IT WAS CONSIDERED A MIRACLE.
 Job cpu time:       0 days  3 hours 44 minutes 33.2 seconds.
 Elapsed time:       0 days  0 hours 28 minutes  6.2 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 20:16:04 2021.
